data_10276_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10276
_Entry.PDB_ID 2D9T
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY HA2 H 7 3.892 4.071 -0.179 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.892 4.072 -0.180 1
1 3 . 1 1 1 A 7 7 GLY C C 7 173.405 171.186 2.219 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.070 44.763 0.307 1
1 5 . 1 1 1 A 8 8 LYS H H 8 7.913 8.452 -0.539 1
1 6 . 1 1 1 A 8 8 LYS HA H 8 4.031 4.861 -0.830 1
1 15 . 1 1 1 A 8 8 LYS C C 8 175.501 173.768 1.733 1
1 16 . 1 1 1 A 8 8 LYS CA C 8 55.765 55.434 0.331 1
1 17 . 1 1 1 A 8 8 LYS CB C 8 33.046 36.294 -3.248 1
1 21 . 1 1 1 A 8 8 LYS N N 8 121.849 120.080 1.769 1
1 22 . 1 1 1 A 9 9 VAL H H 9 8.175 8.874 -0.699 1
1 23 . 1 1 1 A 9 9 VAL HA H 9 4.082 4.833 -0.751 1
1 31 . 1 1 1 A 9 9 VAL C C 9 175.680 173.626 2.054 1
1 32 . 1 1 1 A 9 9 VAL CA C 9 61.571 59.526 2.045 1
1 33 . 1 1 1 A 9 9 VAL CB C 9 32.224 34.648 -2.424 1
1 36 . 1 1 1 A 9 9 VAL N N 9 125.536 125.151 0.385 1
1 37 . 1 1 1 A 10 10 TRP H H 10 8.125 8.859 -0.734 1
1 38 . 1 1 1 A 10 10 TRP HA H 10 4.667 5.163 -0.496 1
1 47 . 1 1 1 A 10 10 TRP C C 10 174.859 176.009 -1.150 1
1 48 . 1 1 1 A 10 10 TRP CA C 10 57.088 57.074 0.014 1
1 49 . 1 1 1 A 10 10 TRP CB C 10 31.730 31.675 0.055 1
1 55 . 1 1 1 A 10 10 TRP N N 10 127.817 128.684 -0.867 1
1 57 . 1 1 1 A 11 11 LYS H H 11 9.090 8.933 0.157 1
1 58 . 1 1 1 A 11 11 LYS HA H 11 4.856 4.904 -0.048 1
1 67 . 1 1 1 A 11 11 LYS C C 11 172.968 174.096 -1.128 1
1 68 . 1 1 1 A 11 11 LYS CA C 11 53.330 53.255 0.075 1
1 69 . 1 1 1 A 11 11 LYS CB C 11 33.827 35.974 -2.147 1
1 73 . 1 1 1 A 11 11 LYS N N 11 120.688 120.233 0.455 1
1 74 . 1 1 1 A 12 12 PRO HA H 12 3.894 4.644 -0.750 1
1 81 . 1 1 1 A 12 12 PRO C C 12 177.287 177.594 -0.307 1
1 82 . 1 1 1 A 12 12 PRO CA C 12 63.812 63.655 0.157 1
1 83 . 1 1 1 A 12 12 PRO CB C 12 31.278 31.192 0.086 1
1 86 . 1 1 1 A 13 13 GLY H H 13 9.494 8.727 0.767 1
1 87 . 1 1 1 A 13 13 GLY HA2 H 13 4.431 4.072 0.359 1
1 88 . 1 1 1 A 13 13 GLY HA3 H 13 3.746 4.075 -0.329 1
1 89 . 1 1 1 A 13 13 GLY C C 13 174.798 173.511 1.287 1
1 90 . 1 1 1 A 13 13 GLY CA C 13 44.559 45.262 -0.703 1
1 91 . 1 1 1 A 13 13 GLY N N 13 114.764 112.812 1.952 1
1 92 . 1 1 1 A 14 14 ASP H H 14 8.005 7.993 0.012 1
1 93 . 1 1 1 A 14 14 ASP HA H 14 4.665 5.060 -0.395 1
1 96 . 1 1 1 A 14 14 ASP C C 14 176.143 175.591 0.552 1
1 97 . 1 1 1 A 14 14 ASP CA C 14 55.553 53.167 2.386 1
1 98 . 1 1 1 A 14 14 ASP CB C 14 41.600 43.847 -2.247 1
1 99 . 1 1 1 A 14 14 ASP N N 14 121.257 119.973 1.284 1
1 100 . 1 1 1 A 15 15 GLU H H 15 8.645 8.804 -0.159 1
1 101 . 1 1 1 A 15 15 GLU HA H 15 4.852 4.647 0.205 1
1 106 . 1 1 1 A 15 15 GLU C C 15 175.679 176.435 -0.756 1
1 107 . 1 1 1 A 15 15 GLU CA C 15 55.783 56.676 -0.893 1
1 108 . 1 1 1 A 15 15 GLU CB C 15 31.295 29.810 1.485 1
1 110 . 1 1 1 A 15 15 GLU N N 15 121.409 124.080 -2.671 1
1 111 . 1 1 1 A 16 16 CYS H H 16 8.735 9.183 -0.448 1
1 112 . 1 1 1 A 16 16 CYS HA H 16 5.086 5.214 -0.128 1
1 115 . 1 1 1 A 16 16 CYS C C 16 172.636 173.082 -0.446 1
1 116 . 1 1 1 A 16 16 CYS CA C 16 56.418 56.524 -0.106 1
1 117 . 1 1 1 A 16 16 CYS CB C 16 32.553 31.843 0.710 1
1 118 . 1 1 1 A 16 16 CYS N N 16 116.207 121.417 -5.210 1
1 119 . 1 1 1 A 17 17 PHE H H 17 9.125 9.089 0.036 1
1 120 . 1 1 1 A 17 17 PHE HA H 17 5.235 5.670 -0.435 1
1 128 . 1 1 1 A 17 17 PHE C C 17 174.823 175.153 -0.330 1
1 129 . 1 1 1 A 17 17 PHE CA C 17 57.547 57.003 0.544 1
1 130 . 1 1 1 A 17 17 PHE CB C 17 42.053 40.567 1.486 1
1 136 . 1 1 1 A 17 17 PHE N N 17 116.836 119.398 -2.562 1
1 137 . 1 1 1 A 18 18 ALA H H 18 9.373 8.967 0.406 1
1 138 . 1 1 1 A 18 18 ALA HA H 18 5.552 5.405 0.147 1
1 142 . 1 1 1 A 18 18 ALA C C 18 175.841 175.992 -0.151 1
1 143 . 1 1 1 A 18 18 ALA CA C 18 50.147 49.987 0.160 1
1 144 . 1 1 1 A 18 18 ALA CB C 18 23.798 22.107 1.691 1
1 145 . 1 1 1 A 18 18 ALA N N 18 122.751 126.769 -4.018 1
1 146 . 1 1 1 A 19 19 LEU H H 19 7.487 8.288 -0.801 1
1 147 . 1 1 1 A 19 19 LEU HA H 19 3.514 4.862 -1.348 1
1 157 . 1 1 1 A 19 19 LEU C C 19 175.598 176.495 -0.897 1
1 158 . 1 1 1 A 19 19 LEU CA C 19 55.165 54.356 0.809 1
1 159 . 1 1 1 A 19 19 LEU CB C 19 43.656 42.327 1.329 1
1 163 . 1 1 1 A 19 19 LEU N N 19 123.529 124.980 -1.451 1
1 164 . 1 1 1 A 20 20 TYR H H 20 9.405 8.553 0.852 1
1 165 . 1 1 1 A 20 20 TYR HA H 20 4.939 4.507 0.432 1
1 172 . 1 1 1 A 20 20 TYR C C 20 176.593 176.878 -0.285 1
1 173 . 1 1 1 A 20 20 TYR CA C 20 55.201 59.141 -3.940 1
1 174 . 1 1 1 A 20 20 TYR CB C 20 37.899 38.845 -0.946 1
1 179 . 1 1 1 A 20 20 TYR N N 20 132.207 126.309 5.898 1
1 180 . 1 1 1 A 21 21 TRP H H 21 8.475 7.885 0.590 1
1 181 . 1 1 1 A 21 21 TRP HA H 21 4.087 4.574 -0.487 1
1 190 . 1 1 1 A 21 21 TRP C C 21 177.283 176.763 0.520 1
1 191 . 1 1 1 A 21 21 TRP CA C 21 58.695 57.533 1.162 1
1 192 . 1 1 1 A 21 21 TRP CB C 21 28.111 29.821 -1.710 1
1 198 . 1 1 1 A 21 21 TRP N N 21 128.228 126.420 1.808 1
1 200 . 1 1 1 A 22 22 GLU H H 22 4.195 6.879 -2.684 1
1 201 . 1 1 1 A 22 22 GLU HA H 22 2.895 4.142 -1.247 1
1 206 . 1 1 1 A 22 22 GLU C C 22 176.342 176.079 0.263 1
1 207 . 1 1 1 A 22 22 GLU CA C 22 59.753 55.867 3.886 1
1 208 . 1 1 1 A 22 22 GLU CB C 22 29.468 30.352 -0.884 1
1 210 . 1 1 1 A 22 22 GLU N N 22 117.591 118.690 -1.099 1
1 211 . 1 1 1 A 23 23 ASP H H 23 6.695 7.903 -1.208 1
1 212 . 1 1 1 A 23 23 ASP HA H 23 4.554 4.879 -0.325 1
1 215 . 1 1 1 A 23 23 ASP C C 23 176.047 176.198 -0.151 1
1 216 . 1 1 1 A 23 23 ASP CA C 23 51.970 53.611 -1.641 1
1 217 . 1 1 1 A 23 23 ASP CB C 23 41.353 42.372 -1.019 1
1 218 . 1 1 1 A 23 23 ASP N N 23 112.180 119.799 -7.619 1
1 219 . 1 1 1 A 24 24 ASN H H 24 8.248 7.937 0.311 1
1 220 . 1 1 1 A 24 24 ASN HA H 24 4.055 4.522 -0.467 1
1 225 . 1 1 1 A 24 24 ASN C C 24 173.702 173.943 -0.241 1
1 226 . 1 1 1 A 24 24 ASN CA C 24 54.794 54.011 0.783 1
1 227 . 1 1 1 A 24 24 ASN CB C 24 37.940 36.130 1.810 1
1 228 . 1 1 1 A 24 24 ASN N N 24 116.693 118.588 -1.895 1
1 230 . 1 1 1 A 25 25 LYS H H 25 7.604 7.503 0.101 1
1 231 . 1 1 1 A 25 25 LYS HA H 25 4.502 4.506 -0.004 1
1 240 . 1 1 1 A 25 25 LYS C C 25 174.726 175.359 -0.633 1
1 241 . 1 1 1 A 25 25 LYS CA C 25 54.565 54.182 0.383 1
1 242 . 1 1 1 A 25 25 LYS CB C 25 35.143 34.132 1.011 1
1 246 . 1 1 1 A 25 25 LYS N N 25 116.646 119.036 -2.390 1
1 247 . 1 1 1 A 26 26 PHE H H 26 8.361 8.346 0.015 1
1 248 . 1 1 1 A 26 26 PHE HA H 26 5.005 4.650 0.355 1
1 256 . 1 1 1 A 26 26 PHE C C 26 176.228 176.034 0.194 1
1 257 . 1 1 1 A 26 26 PHE CA C 26 58.236 58.612 -0.376 1
1 258 . 1 1 1 A 26 26 PHE CB C 26 41.148 39.240 1.908 1
1 264 . 1 1 1 A 26 26 PHE N N 26 118.446 120.908 -2.462 1
1 265 . 1 1 1 A 27 27 TYR H H 27 8.851 8.892 -0.041 1
1 266 . 1 1 1 A 27 27 TYR HA H 27 5.045 5.222 -0.177 1
1 273 . 1 1 1 A 27 27 TYR C C 27 175.380 174.868 0.512 1
1 274 . 1 1 1 A 27 27 TYR CA C 27 56.594 56.548 0.046 1
1 275 . 1 1 1 A 27 27 TYR CB C 27 43.856 42.559 1.297 1
1 280 . 1 1 1 A 27 27 TYR N N 27 118.823 123.427 -4.604 1
1 281 . 1 1 1 A 28 28 ARG H H 28 9.026 8.446 0.580 1
1 282 . 1 1 1 A 28 28 ARG HA H 28 4.202 3.139 1.063 1
1 290 . 1 1 1 A 28 28 ARG C C 28 175.789 175.284 0.505 1
1 291 . 1 1 1 A 28 28 ARG CA C 28 57.142 56.585 0.557 1
1 292 . 1 1 1 A 28 28 ARG CB C 28 30.291 30.928 -0.637 1
1 295 . 1 1 1 A 28 28 ARG N N 28 122.262 123.468 -1.206 1
1 297 . 1 1 1 A 29 29 ALA H H 29 9.157 8.274 0.883 1
1 298 . 1 1 1 A 29 29 ALA HA H 29 5.098 5.022 0.076 1
1 302 . 1 1 1 A 29 29 ALA C C 29 175.247 175.054 0.193 1
1 303 . 1 1 1 A 29 29 ALA CA C 29 51.188 51.295 -0.107 1
1 304 . 1 1 1 A 29 29 ALA CB C 29 23.153 22.787 0.366 1
1 305 . 1 1 1 A 29 29 ALA N N 29 126.768 126.965 -0.197 1
1 306 . 1 1 1 A 30 30 GLU H H 30 8.167 8.522 -0.355 1
1 307 . 1 1 1 A 30 30 GLU HA H 30 5.085 4.860 0.225 1
1 312 . 1 1 1 A 30 30 GLU C C 30 176.265 174.840 1.425 1
1 313 . 1 1 1 A 30 30 GLU CA C 30 53.948 55.259 -1.311 1
1 314 . 1 1 1 A 30 30 GLU CB C 30 33.622 33.609 0.013 1
1 316 . 1 1 1 A 30 30 GLU N N 30 118.036 118.343 -0.307 1
1 317 . 1 1 1 A 31 31 VAL H H 31 8.961 9.079 -0.118 1
1 318 . 1 1 1 A 31 31 VAL HA H 31 3.545 3.904 -0.359 1
1 326 . 1 1 1 A 31 31 VAL C C 31 175.369 176.156 -0.787 1
1 327 . 1 1 1 A 31 31 VAL CA C 31 64.571 63.234 1.337 1
1 328 . 1 1 1 A 31 31 VAL CB C 31 31.678 30.873 0.805 1
1 331 . 1 1 1 A 31 31 VAL N N 31 124.010 127.233 -3.223 1
1 332 . 1 1 1 A 32 32 GLU H H 32 9.483 9.087 0.396 1
1 333 . 1 1 1 A 32 32 GLU HA H 32 4.627 4.189 0.438 1
1 338 . 1 1 1 A 32 32 GLU C C 32 175.695 176.276 -0.581 1
1 339 . 1 1 1 A 32 32 GLU CA C 32 56.841 58.591 -1.750 1
1 340 . 1 1 1 A 32 32 GLU CB C 32 30.661 30.660 0.001 1
1 342 . 1 1 1 A 32 32 GLU N N 32 130.912 129.571 1.341 1
1 343 . 1 1 1 A 33 33 ALA H H 33 7.838 7.555 0.283 1
1 344 . 1 1 1 A 33 33 ALA HA H 33 4.456 4.664 -0.208 1
1 348 . 1 1 1 A 33 33 ALA C C 33 174.956 175.792 -0.836 1
1 349 . 1 1 1 A 33 33 ALA CA C 33 51.777 51.623 0.154 1
1 350 . 1 1 1 A 33 33 ALA CB C 33 22.189 22.535 -0.346 1
1 351 . 1 1 1 A 33 33 ALA N N 33 117.714 118.695 -0.981 1
1 352 . 1 1 1 A 34 34 LEU H H 34 8.954 8.620 0.334 1
1 353 . 1 1 1 A 34 34 LEU HA H 34 4.702 4.478 0.224 1
1 363 . 1 1 1 A 34 34 LEU C C 34 176.325 176.615 -0.290 1
1 364 . 1 1 1 A 34 34 LEU CA C 34 53.559 54.437 -0.878 1
1 365 . 1 1 1 A 34 34 LEU CB C 34 42.381 42.577 -0.196 1
1 369 . 1 1 1 A 34 34 LEU N N 34 122.418 123.190 -0.772 1
1 370 . 1 1 1 A 35 35 HIS H H 35 8.022 8.537 -0.515 1
1 371 . 1 1 1 A 35 35 HIS HA H 35 4.544 4.912 -0.368 1
1 376 . 1 1 1 A 35 35 HIS C C 35 178.300 176.635 1.665 1
1 377 . 1 1 1 A 35 35 HIS CA C 35 57.706 54.608 3.098 1
1 378 . 1 1 1 A 35 35 HIS CB C 35 32.594 31.627 0.967 1
1 381 . 1 1 1 A 35 35 HIS N N 35 123.729 120.752 2.977 1
1 382 . 1 1 1 A 37 37 SER H H 37 10.111 7.141 2.970 1
1 383 . 1 1 1 A 37 37 SER HA H 37 4.339 4.017 0.322 1
1 386 . 1 1 1 A 37 37 SER C C 37 176.434 174.825 1.609 1
1 387 . 1 1 1 A 37 37 SER CA C 37 59.895 61.102 -1.207 1
1 388 . 1 1 1 A 37 37 SER CB C 37 63.665 63.343 0.322 1
1 389 . 1 1 1 A 37 37 SER N N 37 119.788 115.814 3.974 1
1 390 . 1 1 1 A 38 38 GLY H H 38 8.136 7.884 0.252 1
1 391 . 1 1 1 A 38 38 GLY HA2 H 38 4.257 4.003 0.254 1
1 392 . 1 1 1 A 38 38 GLY HA3 H 38 3.981 4.026 -0.045 1
1 393 . 1 1 1 A 38 38 GLY C C 38 174.441 174.349 0.092 1
1 394 . 1 1 1 A 38 38 GLY CA C 38 46.006 45.773 0.233 1
1 395 . 1 1 1 A 38 38 GLY N N 38 108.557 107.900 0.657 1
1 396 . 1 1 1 A 39 39 MET H H 39 8.180 8.136 0.044 1
1 397 . 1 1 1 A 39 39 MET HA H 39 4.789 4.738 0.051 1
1 405 . 1 1 1 A 39 39 MET C C 39 177.404 176.027 1.377 1
1 406 . 1 1 1 A 39 39 MET CA C 39 55.889 56.363 -0.474 1
1 407 . 1 1 1 A 39 39 MET CB C 39 34.033 35.442 -1.409 1
1 410 . 1 1 1 A 39 39 MET N N 39 113.829 116.474 -2.645 1
1 411 . 1 1 1 A 40 40 THR H H 40 7.174 8.171 -0.997 1
1 412 . 1 1 1 A 40 40 THR HA H 40 5.182 5.038 0.144 1
1 417 . 1 1 1 A 40 40 THR C C 40 172.981 173.905 -0.924 1
1 418 . 1 1 1 A 40 40 THR CA C 40 59.559 60.160 -0.601 1
1 419 . 1 1 1 A 40 40 THR CB C 40 73.120 71.594 1.526 1
1 421 . 1 1 1 A 40 40 THR N N 40 108.160 109.701 -1.541 1
1 422 . 1 1 1 A 41 41 ALA H H 41 9.245 8.810 0.435 1
1 423 . 1 1 1 A 41 41 ALA HA H 41 4.932 4.949 -0.017 1
1 427 . 1 1 1 A 41 41 ALA C C 41 175.635 176.107 -0.472 1
1 428 . 1 1 1 A 41 41 ALA CA C 41 50.417 51.234 -0.817 1
1 429 . 1 1 1 A 41 41 ALA CB C 41 22.600 23.513 -0.913 1
1 430 . 1 1 1 A 41 41 ALA N N 41 122.138 121.925 0.213 1
1 431 . 1 1 1 A 42 42 VAL H H 42 8.773 8.972 -0.199 1
1 432 . 1 1 1 A 42 42 VAL HA H 42 4.789 4.359 0.430 1
1 440 . 1 1 1 A 42 42 VAL C C 42 176.410 175.672 0.738 1
1 441 . 1 1 1 A 42 42 VAL CA C 42 62.083 62.253 -0.170 1
1 442 . 1 1 1 A 42 42 VAL CB C 42 32.776 31.438 1.338 1
1 445 . 1 1 1 A 42 42 VAL N N 42 120.320 119.835 0.485 1
1 446 . 1 1 1 A 43 43 VAL H H 43 9.224 8.721 0.503 1
1 447 . 1 1 1 A 43 43 VAL HA H 43 5.013 4.962 0.051 1
1 455 . 1 1 1 A 43 43 VAL C C 43 172.532 174.103 -1.571 1
1 456 . 1 1 1 A 43 43 VAL CA C 43 57.812 59.231 -1.419 1
1 457 . 1 1 1 A 43 43 VAL CB C 43 34.280 34.344 -0.064 1
1 460 . 1 1 1 A 43 43 VAL N N 43 121.151 122.305 -1.154 1
1 461 . 1 1 1 A 44 44 LYS H H 44 8.645 8.748 -0.103 1
1 462 . 1 1 1 A 44 44 LYS HA H 44 4.627 4.702 -0.075 1
1 471 . 1 1 1 A 44 44 LYS C C 44 177.419 175.502 1.917 1
1 472 . 1 1 1 A 44 44 LYS CA C 44 53.612 55.195 -1.583 1
1 473 . 1 1 1 A 44 44 LYS CB C 44 35.143 33.991 1.152 1
1 477 . 1 1 1 A 44 44 LYS N N 44 121.425 124.518 -3.093 1
1 478 . 1 1 1 A 45 45 PHE H H 45 8.823 9.090 -0.267 1
1 479 . 1 1 1 A 45 45 PHE HA H 45 4.505 4.616 -0.111 1
1 487 . 1 1 1 A 45 45 PHE C C 45 177.585 176.546 1.039 1
1 488 . 1 1 1 A 45 45 PHE CA C 45 59.841 57.955 1.886 1
1 489 . 1 1 1 A 45 45 PHE CB C 45 38.598 39.799 -1.201 1
1 495 . 1 1 1 A 45 45 PHE N N 45 128.232 125.846 2.386 1
1 496 . 1 1 1 A 46 46 THR H H 46 8.281 8.558 -0.277 1
1 497 . 1 1 1 A 46 46 THR HA H 46 3.738 4.003 -0.265 1
1 502 . 1 1 1 A 46 46 THR C C 46 176.410 176.075 0.335 1
1 503 . 1 1 1 A 46 46 THR CA C 46 65.930 65.487 0.443 1
1 504 . 1 1 1 A 46 46 THR CB C 46 68.743 68.763 -0.020 1
1 506 . 1 1 1 A 46 46 THR N N 46 120.729 120.322 0.407 1
1 507 . 1 1 1 A 47 47 ASP H H 47 9.166 8.349 0.817 1
1 508 . 1 1 1 A 47 47 ASP HA H 47 4.300 3.919 0.381 1
1 511 . 1 1 1 A 47 47 ASP C C 47 176.844 176.948 -0.104 1
1 512 . 1 1 1 A 47 47 ASP CA C 47 57.283 57.055 0.228 1
1 513 . 1 1 1 A 47 47 ASP CB C 47 40.037 39.817 0.220 1
1 514 . 1 1 1 A 47 47 ASP N N 47 120.635 120.372 0.263 1
1 515 . 1 1 1 A 48 48 TYR H H 48 7.676 7.480 0.196 1
1 516 . 1 1 1 A 48 48 TYR HA H 48 4.605 4.643 -0.038 1
1 523 . 1 1 1 A 48 48 TYR C C 48 177.343 176.190 1.153 1
1 524 . 1 1 1 A 48 48 TYR CA C 48 57.777 58.081 -0.304 1
1 525 . 1 1 1 A 48 48 TYR CB C 48 39.914 40.837 -0.923 1
1 530 . 1 1 1 A 48 48 TYR N N 48 114.763 113.371 1.392 1
1 531 . 1 1 1 A 49 49 GLY H H 49 8.065 8.399 -0.334 1
1 532 . 1 1 1 A 49 49 GLY HA2 H 49 4.023 4.026 -0.003 1
1 533 . 1 1 1 A 49 49 GLY HA3 H 49 3.571 4.027 -0.456 1
1 534 . 1 1 1 A 49 49 GLY C C 49 172.707 174.156 -1.449 1
1 535 . 1 1 1 A 49 49 GLY CA C 49 46.165 45.268 0.897 1
1 536 . 1 1 1 A 49 49 GLY N N 49 107.679 108.039 -0.360 1
1 537 . 1 1 1 A 50 50 ASN H H 50 8.836 8.044 0.792 1
1 538 . 1 1 1 A 50 50 ASN HA H 50 4.777 5.141 -0.364 1
1 543 . 1 1 1 A 50 50 ASN C C 50 173.696 173.748 -0.052 1
1 544 . 1 1 1 A 50 50 ASN CA C 50 52.747 51.344 1.403 1
1 545 . 1 1 1 A 50 50 ASN CB C 50 37.710 41.226 -3.516 1
1 546 . 1 1 1 A 50 50 ASN N N 50 114.795 116.196 -1.401 1
1 548 . 1 1 1 A 51 51 TYR H H 51 8.726 8.596 0.130 1
1 549 . 1 1 1 A 51 51 TYR HA H 51 5.696 4.919 0.777 1
1 556 . 1 1 1 A 51 51 TYR C C 51 176.871 175.722 1.149 1
1 557 . 1 1 1 A 51 51 TYR CA C 51 56.789 58.026 -1.237 1
1 558 . 1 1 1 A 51 51 TYR CB C 51 40.037 39.899 0.138 1
1 563 . 1 1 1 A 51 51 TYR N N 51 120.703 121.398 -0.695 1
1 564 . 1 1 1 A 52 52 GLU H H 52 8.995 9.022 -0.027 1
1 565 . 1 1 1 A 52 52 GLU HA H 52 4.981 4.975 0.006 1
1 570 . 1 1 1 A 52 52 GLU C C 52 174.629 175.009 -0.380 1
1 571 . 1 1 1 A 52 52 GLU CA C 52 54.070 55.550 -1.480 1
1 572 . 1 1 1 A 52 52 GLU CB C 52 34.814 33.858 0.956 1
1 574 . 1 1 1 A 52 52 GLU N N 52 118.929 121.247 -2.318 1
1 575 . 1 1 1 A 53 53 GLU H H 53 8.995 8.610 0.385 1
1 576 . 1 1 1 A 53 53 GLU HA H 53 5.175 4.600 0.575 1
1 581 . 1 1 1 A 53 53 GLU C C 53 176.301 175.424 0.877 1
1 582 . 1 1 1 A 53 53 GLU CA C 53 55.500 56.399 -0.899 1
1 583 . 1 1 1 A 53 53 GLU CB C 53 30.537 30.181 0.356 1
1 585 . 1 1 1 A 53 53 GLU N N 53 122.819 124.497 -1.678 1
1 586 . 1 1 1 A 54 54 VAL H H 54 9.375 8.423 0.952 1
1 587 . 1 1 1 A 54 54 VAL HA H 54 4.739 4.750 -0.011 1
1 595 . 1 1 1 A 54 54 VAL C C 54 175.017 175.031 -0.014 1
1 596 . 1 1 1 A 54 54 VAL CA C 54 59.647 60.572 -0.925 1
1 597 . 1 1 1 A 54 54 VAL CB C 54 36.171 35.903 0.268 1
1 600 . 1 1 1 A 54 54 VAL N N 54 125.177 126.892 -1.715 1
1 601 . 1 1 1 A 55 55 LEU H H 55 8.744 8.509 0.235 1
1 602 . 1 1 1 A 55 55 LEU HA H 55 4.500 4.415 0.085 1
1 612 . 1 1 1 A 55 55 LEU C C 55 179.440 178.500 0.940 1
1 613 . 1 1 1 A 55 55 LEU CA C 55 55.495 54.889 0.606 1
1 614 . 1 1 1 A 55 55 LEU CB C 55 42.628 42.419 0.209 1
1 618 . 1 1 1 A 55 55 LEU N N 55 123.920 125.652 -1.732 1
1 619 . 1 1 1 A 56 56 LEU H H 56 8.324 8.853 -0.529 1
1 620 . 1 1 1 A 56 56 LEU HA H 56 3.855 4.076 -0.221 1
1 630 . 1 1 1 A 56 56 LEU C C 56 178.810 178.604 0.206 1
1 631 . 1 1 1 A 56 56 LEU CA C 56 57.883 57.502 0.381 1
1 632 . 1 1 1 A 56 56 LEU CB C 56 41.330 41.523 -0.193 1
1 636 . 1 1 1 A 56 56 LEU N N 56 123.383 123.042 0.341 1
1 637 . 1 1 1 A 57 57 SER H H 57 7.886 8.309 -0.423 1
1 638 . 1 1 1 A 57 57 SER HA H 57 4.364 4.548 -0.184 1
1 641 . 1 1 1 A 57 57 SER C C 57 174.944 175.055 -0.111 1
1 642 . 1 1 1 A 57 57 SER CA C 57 59.859 60.319 -0.460 1
1 643 . 1 1 1 A 57 57 SER CB C 57 62.509 63.199 -0.690 1
1 644 . 1 1 1 A 57 57 SER N N 57 109.927 114.894 -4.967 1
1 645 . 1 1 1 A 58 58 ASN H H 58 8.085 7.888 0.197 1
1 646 . 1 1 1 A 58 58 ASN HA H 58 5.275 5.102 0.173 1
1 651 . 1 1 1 A 58 58 ASN C C 58 172.402 173.668 -1.266 1
1 652 . 1 1 1 A 58 58 ASN CA C 58 52.535 53.106 -0.571 1
1 653 . 1 1 1 A 58 58 ASN CB C 58 39.585 39.359 0.226 1
1 654 . 1 1 1 A 58 58 ASN N N 58 120.812 117.376 3.436 1
1 656 . 1 1 1 A 59 59 ILE H H 59 7.291 7.277 0.014 1
1 657 . 1 1 1 A 59 59 ILE HA H 59 5.125 5.251 -0.126 1
1 667 . 1 1 1 A 59 59 ILE C C 59 174.980 175.046 -0.066 1
1 668 . 1 1 1 A 59 59 ILE CA C 59 60.659 59.587 1.072 1
1 669 . 1 1 1 A 59 59 ILE CB C 59 39.996 41.011 -1.015 1
1 673 . 1 1 1 A 59 59 ILE N N 59 115.444 121.397 -5.953 1
1 674 . 1 1 1 A 60 60 LYS H H 60 9.366 8.922 0.444 1
1 675 . 1 1 1 A 60 60 LYS HA H 60 5.300 4.955 0.345 1
1 684 . 1 1 1 A 60 60 LYS C C 60 173.381 174.288 -0.907 1
1 685 . 1 1 1 A 60 60 LYS CA C 60 52.977 52.946 0.031 1
1 686 . 1 1 1 A 60 60 LYS CB C 60 34.814 34.298 0.516 1
1 690 . 1 1 1 A 60 60 LYS N N 60 122.819 125.635 -2.816 1
1 691 . 1 1 1 A 61 61 PRO HA H 61 5.027 5.024 0.003 1
1 698 . 1 1 1 A 61 61 PRO C C 61 176.256 176.942 -0.686 1
1 699 . 1 1 1 A 61 61 PRO CA C 61 62.754 62.940 -0.186 1
1 700 . 1 1 1 A 61 61 PRO CB C 61 32.594 32.374 0.220 1
1 703 . 1 1 1 A 62 62 VAL H H 62 8.525 8.582 -0.057 1
1 704 . 1 1 1 A 62 62 VAL HA H 62 3.969 4.245 -0.276 1
1 712 . 1 1 1 A 62 62 VAL C C 62 176.192 176.000 0.192 1
1 713 . 1 1 1 A 62 62 VAL CA C 62 62.895 62.422 0.473 1
1 714 . 1 1 1 A 62 62 VAL CB C 62 32.059 32.343 -0.284 1
1 717 . 1 1 1 A 62 62 VAL N N 62 117.807 123.408 -5.601 1
1 718 . 1 1 1 A 63 63 GLN H H 63 7.815 8.499 -0.684 1
1 719 . 1 1 1 A 63 63 GLN HA H 63 4.415 4.408 0.007 1
1 726 . 1 1 1 A 63 63 GLN C C 63 175.716 175.262 0.454 1
1 727 . 1 1 1 A 63 63 GLN CA C 63 55.535 56.200 -0.665 1
1 728 . 1 1 1 A 63 63 GLN CB C 63 29.468 29.537 -0.069 1
1 730 . 1 1 1 A 63 63 GLN N N 63 122.188 126.507 -4.319 1
1 732 . 1 1 1 A 64 64 THR H H 64 8.185 8.561 -0.376 1
1 733 . 1 1 1 A 64 64 THR HA H 64 4.154 4.819 -0.665 1
1 738 . 1 1 1 A 64 64 THR C C 64 174.616 173.778 0.838 1
1 739 . 1 1 1 A 64 64 THR CA C 64 62.277 60.051 2.226 1
1 740 . 1 1 1 A 64 64 THR CB C 64 69.565 71.068 -1.503 1
1 742 . 1 1 1 A 64 64 THR N N 64 116.169 119.322 -3.153 1
1 743 . 1 1 1 A 65 65 GLU H H 65 8.460 8.801 -0.341 1
1 744 . 1 1 1 A 65 65 GLU HA H 65 4.174 4.663 -0.489 1
1 749 . 1 1 1 A 65 65 GLU C C 65 176.216 176.381 -0.165 1
1 750 . 1 1 1 A 65 65 GLU CA C 65 56.647 56.319 0.328 1
1 751 . 1 1 1 A 65 65 GLU CB C 65 30.044 28.615 1.429 1
1 753 . 1 1 1 A 65 65 GLU N N 65 123.014 124.771 -1.757 1
1 754 . 1 1 1 A 66 66 ALA H H 66 8.245 8.574 -0.329 1
1 755 . 1 1 1 A 66 66 ALA HA H 66 4.205 4.538 -0.333 1
1 759 . 1 1 1 A 66 66 ALA C C 66 177.258 177.032 0.226 1
1 760 . 1 1 1 A 66 66 ALA CA C 66 52.730 51.463 1.267 1
1 761 . 1 1 1 A 66 66 ALA CB C 66 19.064 18.768 0.296 1
1 762 . 1 1 1 A 66 66 ALA N N 66 124.251 126.770 -2.519 1
1 763 . 1 1 1 A 67 67 TRP H H 67 7.875 7.896 -0.021 1
1 764 . 1 1 1 A 67 67 TRP HA H 67 4.609 4.689 -0.080 1
1 772 . 1 1 1 A 67 67 TRP C C 67 175.889 176.934 -1.045 1
1 773 . 1 1 1 A 67 67 TRP CA C 67 57.106 57.833 -0.727 1
1 774 . 1 1 1 A 67 67 TRP CB C 67 29.427 30.421 -0.994 1
1 779 . 1 1 1 A 67 67 TRP N N 67 119.568 120.731 -1.163 1
1 781 . 1 1 1 A 68 68 VAL H H 68 7.815 8.649 -0.834 1
1 782 . 1 1 1 A 68 68 VAL HA H 68 3.917 4.849 -0.932 1
1 790 . 1 1 1 A 68 68 VAL C C 68 175.368 173.879 1.489 1
1 791 . 1 1 1 A 68 68 VAL CA C 68 62.189 60.787 1.402 1
1 792 . 1 1 1 A 68 68 VAL CB C 68 32.981 35.110 -2.129 1
1 795 . 1 1 1 A 68 68 VAL N N 68 122.485 121.593 0.892 1
1 796 . 1 1 1 A 69 69 ARG H H 69 8.084 9.084 -1.000 1
1 797 . 1 1 1 A 69 69 ARG HA H 69 4.107 4.981 -0.874 1
1 804 . 1 1 1 A 69 69 ARG C C 69 175.465 174.538 0.927 1
1 805 . 1 1 1 A 69 69 ARG CA C 69 55.841 55.422 0.419 1
1 806 . 1 1 1 A 69 69 ARG CB C 69 30.949 31.703 -0.754 1
1 809 . 1 1 1 A 69 69 ARG N N 69 124.540 128.958 -4.418 1
1 810 . 1 1 1 A 70 70 ASP H H 70 8.365 8.584 -0.219 1
1 811 . 1 1 1 A 70 70 ASP HA H 70 4.780 5.009 -0.229 1
1 814 . 1 1 1 A 70 70 ASP C C 70 175.319 175.187 0.132 1
1 815 . 1 1 1 A 70 70 ASP CA C 70 51.882 51.337 0.545 1
1 816 . 1 1 1 A 70 70 ASP CB C 70 41.312 45.044 -3.732 1
1 817 . 1 1 1 A 70 70 ASP N N 70 123.498 124.680 -1.182 1
1 818 . 1 1 1 A 71 71 PRO HA H 71 4.355 4.555 -0.200 1
1 825 . 1 1 1 A 71 71 PRO C C 71 177.091 176.150 0.941 1
1 826 . 1 1 1 A 71 71 PRO CA C 71 63.777 64.134 -0.357 1
1 827 . 1 1 1 A 71 71 PRO CB C 71 32.118 31.743 0.375 1
1 830 . 1 1 1 A 72 72 ASN H H 72 8.521 7.497 1.024 1
1 831 . 1 1 1 A 72 72 ASN HA H 72 4.764 4.971 -0.207 1
1 836 . 1 1 1 A 72 72 ASN C C 72 175.312 174.542 0.770 1
1 837 . 1 1 1 A 72 72 ASN CA C 72 53.471 51.855 1.616 1
1 838 . 1 1 1 A 72 72 ASN CB C 72 38.869 39.397 -0.528 1
1 839 . 1 1 1 A 72 72 ASN N N 72 117.256 116.779 0.477 1
1 841 . 1 1 1 A 73 73 SER H H 73 7.937 8.801 -0.864 1
1 842 . 1 1 1 A 73 73 SER HA H 73 4.429 4.323 0.106 1
1 845 . 1 1 1 A 73 73 SER C C 73 174.532 174.553 -0.021 1
1 846 . 1 1 1 A 73 73 SER CA C 73 58.642 60.491 -1.849 1
1 847 . 1 1 1 A 73 73 SER CB C 73 64.137 63.801 0.336 1
1 848 . 1 1 1 A 73 73 SER N N 73 115.503 122.885 -7.382 1
1 849 . 1 1 1 A 74 74 GLY H H 74 8.206 8.565 -0.359 1
1 850 . 1 1 1 A 74 74 GLY HA2 H 74 4.071 3.962 0.109 1
1 851 . 1 1 1 A 74 74 GLY HA3 H 74 4.123 3.967 0.156 1
1 852 . 1 1 1 A 74 74 GLY C C 74 171.781 174.390 -2.609 1
1 853 . 1 1 1 A 74 74 GLY CA C 74 44.682 46.605 -1.923 1
1 854 . 1 1 1 A 74 74 GLY N N 74 110.659 113.334 -2.675 1
1 855 . 1 1 1 A 75 75 PRO HA H 75 4.446 4.637 -0.191 1
1 862 . 1 1 1 A 75 75 PRO C C 75 177.407 175.648 1.759 1
1 863 . 1 1 1 A 75 75 PRO CA C 75 63.212 62.810 0.402 1
1 864 . 1 1 1 A 75 75 PRO CB C 75 32.182 32.590 -0.408 1
1 867 . 1 1 1 A 76 76 SER H H 76 8.504 8.443 0.061 1
1 868 . 1 1 1 A 76 76 SER HA H 76 4.489 4.923 -0.434 1
1 871 . 1 1 1 A 76 76 SER C C 76 174.677 173.304 1.373 1
1 872 . 1 1 1 A 76 76 SER CA C 76 58.359 57.685 0.674 1
1 873 . 1 1 1 A 76 76 SER CB C 76 64.013 66.824 -2.811 1
1 874 . 1 1 1 A 76 76 SER N N 76 116.388 118.164 -1.776 1
1 875 . 1 1 1 A 77 77 SER H H 77 8.312 8.814 -0.502 1
1 876 . 1 1 1 A 77 77 SER C C 77 173.914 175.435 -1.521 1
1 877 . 1 1 1 A 77 77 SER CA C 77 58.342 58.374 -0.032 1
1 878 . 1 1 1 A 77 77 SER CB C 77 64.013 63.744 0.269 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.892 3.948 -0.056 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.892 3.949 -0.057 1
1 3 . 2 1 1 A 7 7 GLY C C 7 173.405 172.911 0.494 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.070 45.795 -0.725 1
1 5 . 2 1 1 A 8 8 LYS H H 8 7.913 8.421 -0.508 1
1 6 . 2 1 1 A 8 8 LYS HA H 8 4.031 4.788 -0.757 1
1 15 . 2 1 1 A 8 8 LYS C C 8 175.501 174.181 1.320 1
1 16 . 2 1 1 A 8 8 LYS CA C 8 55.765 54.748 1.017 1
1 17 . 2 1 1 A 8 8 LYS CB C 8 33.046 35.168 -2.122 1
1 21 . 2 1 1 A 8 8 LYS N N 8 121.849 125.189 -3.340 1
1 22 . 2 1 1 A 9 9 VAL H H 9 8.175 8.738 -0.563 1
1 23 . 2 1 1 A 9 9 VAL HA H 9 4.082 4.851 -0.769 1
1 31 . 2 1 1 A 9 9 VAL C C 9 175.680 173.710 1.970 1
1 32 . 2 1 1 A 9 9 VAL CA C 9 61.571 59.343 2.228 1
1 33 . 2 1 1 A 9 9 VAL CB C 9 32.224 35.564 -3.340 1
1 36 . 2 1 1 A 9 9 VAL N N 9 125.536 124.574 0.962 1
1 37 . 2 1 1 A 10 10 TRP H H 10 8.125 8.783 -0.658 1
1 38 . 2 1 1 A 10 10 TRP HA H 10 4.667 5.115 -0.448 1
1 47 . 2 1 1 A 10 10 TRP C C 10 174.859 176.015 -1.156 1
1 48 . 2 1 1 A 10 10 TRP CA C 10 57.088 57.161 -0.073 1
1 49 . 2 1 1 A 10 10 TRP CB C 10 31.730 31.579 0.151 1
1 55 . 2 1 1 A 10 10 TRP N N 10 127.817 127.431 0.386 1
1 57 . 2 1 1 A 11 11 LYS H H 11 9.090 9.011 0.079 1
1 58 . 2 1 1 A 11 11 LYS HA H 11 4.856 4.893 -0.037 1
1 67 . 2 1 1 A 11 11 LYS C C 11 172.968 174.095 -1.127 1
1 68 . 2 1 1 A 11 11 LYS CA C 11 53.330 53.272 0.058 1
1 69 . 2 1 1 A 11 11 LYS CB C 11 33.827 35.976 -2.149 1
1 73 . 2 1 1 A 11 11 LYS N N 11 120.688 120.219 0.469 1
1 74 . 2 1 1 A 12 12 PRO HA H 12 3.894 4.644 -0.750 1
1 81 . 2 1 1 A 12 12 PRO C C 12 177.287 177.616 -0.329 1
1 82 . 2 1 1 A 12 12 PRO CA C 12 63.812 63.662 0.150 1
1 83 . 2 1 1 A 12 12 PRO CB C 12 31.278 31.198 0.080 1
1 86 . 2 1 1 A 13 13 GLY H H 13 9.494 8.695 0.799 1
1 87 . 2 1 1 A 13 13 GLY HA2 H 13 4.431 4.074 0.357 1
1 88 . 2 1 1 A 13 13 GLY HA3 H 13 3.746 4.077 -0.331 1
1 89 . 2 1 1 A 13 13 GLY C C 13 174.798 173.451 1.347 1
1 90 . 2 1 1 A 13 13 GLY CA C 13 44.559 45.274 -0.715 1
1 91 . 2 1 1 A 13 13 GLY N N 13 114.764 112.820 1.944 1
1 92 . 2 1 1 A 14 14 ASP H H 14 8.005 7.972 0.033 1
1 93 . 2 1 1 A 14 14 ASP HA H 14 4.665 5.159 -0.494 1
1 96 . 2 1 1 A 14 14 ASP C C 14 176.143 175.306 0.837 1
1 97 . 2 1 1 A 14 14 ASP CA C 14 55.553 52.650 2.903 1
1 98 . 2 1 1 A 14 14 ASP CB C 14 41.600 44.742 -3.142 1
1 99 . 2 1 1 A 14 14 ASP N N 14 121.257 119.644 1.613 1
1 100 . 2 1 1 A 15 15 GLU H H 15 8.645 8.745 -0.100 1
1 101 . 2 1 1 A 15 15 GLU HA H 15 4.852 4.918 -0.066 1
1 106 . 2 1 1 A 15 15 GLU C C 15 175.679 176.233 -0.554 1
1 107 . 2 1 1 A 15 15 GLU CA C 15 55.783 56.713 -0.930 1
1 108 . 2 1 1 A 15 15 GLU CB C 15 31.295 30.276 1.019 1
1 110 . 2 1 1 A 15 15 GLU N N 15 121.409 121.890 -0.481 1
1 111 . 2 1 1 A 16 16 CYS H H 16 8.735 9.033 -0.298 1
1 112 . 2 1 1 A 16 16 CYS HA H 16 5.086 5.173 -0.087 1
1 115 . 2 1 1 A 16 16 CYS C C 16 172.636 172.780 -0.144 1
1 116 . 2 1 1 A 16 16 CYS CA C 16 56.418 56.595 -0.177 1
1 117 . 2 1 1 A 16 16 CYS CB C 16 32.553 30.968 1.585 1
1 118 . 2 1 1 A 16 16 CYS N N 16 116.207 120.592 -4.385 1
1 119 . 2 1 1 A 17 17 PHE H H 17 9.125 9.080 0.045 1
1 120 . 2 1 1 A 17 17 PHE HA H 17 5.235 5.642 -0.407 1
1 128 . 2 1 1 A 17 17 PHE C C 17 174.823 174.849 -0.026 1
1 129 . 2 1 1 A 17 17 PHE CA C 17 57.547 56.913 0.634 1
1 130 . 2 1 1 A 17 17 PHE CB C 17 42.053 40.322 1.731 1
1 136 . 2 1 1 A 17 17 PHE N N 17 116.836 120.210 -3.374 1
1 137 . 2 1 1 A 18 18 ALA H H 18 9.373 8.977 0.396 1
1 138 . 2 1 1 A 18 18 ALA HA H 18 5.552 5.365 0.187 1
1 142 . 2 1 1 A 18 18 ALA C C 18 175.841 176.304 -0.463 1
1 143 . 2 1 1 A 18 18 ALA CA C 18 50.147 50.086 0.061 1
1 144 . 2 1 1 A 18 18 ALA CB C 18 23.798 21.337 2.461 1
1 145 . 2 1 1 A 18 18 ALA N N 18 122.751 127.387 -4.636 1
1 146 . 2 1 1 A 19 19 LEU H H 19 7.487 8.363 -0.876 1
1 147 . 2 1 1 A 19 19 LEU HA H 19 3.514 4.789 -1.275 1
1 157 . 2 1 1 A 19 19 LEU C C 19 175.598 176.352 -0.754 1
1 158 . 2 1 1 A 19 19 LEU CA C 19 55.165 55.876 -0.711 1
1 159 . 2 1 1 A 19 19 LEU CB C 19 43.656 42.928 0.728 1
1 163 . 2 1 1 A 19 19 LEU N N 19 123.529 126.084 -2.555 1
1 164 . 2 1 1 A 20 20 TYR H H 20 9.405 8.537 0.868 1
1 165 . 2 1 1 A 20 20 TYR HA H 20 4.939 4.950 -0.011 1
1 172 . 2 1 1 A 20 20 TYR C C 20 176.593 176.951 -0.358 1
1 173 . 2 1 1 A 20 20 TYR CA C 20 55.201 58.602 -3.401 1
1 174 . 2 1 1 A 20 20 TYR CB C 20 37.899 39.372 -1.473 1
1 179 . 2 1 1 A 20 20 TYR N N 20 132.207 126.551 5.656 1
1 180 . 2 1 1 A 21 21 TRP H H 21 8.475 7.933 0.542 1
1 181 . 2 1 1 A 21 21 TRP HA H 21 4.087 4.648 -0.561 1
1 190 . 2 1 1 A 21 21 TRP C C 21 177.283 176.812 0.471 1
1 191 . 2 1 1 A 21 21 TRP CA C 21 58.695 57.167 1.528 1
1 192 . 2 1 1 A 21 21 TRP CB C 21 28.111 30.204 -2.093 1
1 198 . 2 1 1 A 21 21 TRP N N 21 128.228 125.370 2.858 1
1 200 . 2 1 1 A 22 22 GLU H H 22 4.195 7.019 -2.824 1
1 201 . 2 1 1 A 22 22 GLU HA H 22 2.895 4.207 -1.312 1
1 206 . 2 1 1 A 22 22 GLU C C 22 176.342 176.559 -0.217 1
1 207 . 2 1 1 A 22 22 GLU CA C 22 59.753 55.676 4.077 1
1 208 . 2 1 1 A 22 22 GLU CB C 22 29.468 30.469 -1.001 1
1 210 . 2 1 1 A 22 22 GLU N N 22 117.591 118.871 -1.280 1
1 211 . 2 1 1 A 23 23 ASP H H 23 6.695 7.763 -1.068 1
1 212 . 2 1 1 A 23 23 ASP HA H 23 4.554 4.790 -0.236 1
1 215 . 2 1 1 A 23 23 ASP C C 23 176.047 175.981 0.066 1
1 216 . 2 1 1 A 23 23 ASP CA C 23 51.970 54.288 -2.318 1
1 217 . 2 1 1 A 23 23 ASP CB C 23 41.353 43.307 -1.954 1
1 218 . 2 1 1 A 23 23 ASP N N 23 112.180 116.781 -4.601 1
1 219 . 2 1 1 A 24 24 ASN H H 24 8.248 7.999 0.249 1
1 220 . 2 1 1 A 24 24 ASN HA H 24 4.055 4.439 -0.384 1
1 225 . 2 1 1 A 24 24 ASN C C 24 173.702 173.638 0.064 1
1 226 . 2 1 1 A 24 24 ASN CA C 24 54.794 54.365 0.429 1
1 227 . 2 1 1 A 24 24 ASN CB C 24 37.940 36.701 1.239 1
1 228 . 2 1 1 A 24 24 ASN N N 24 116.693 115.035 1.658 1
1 230 . 2 1 1 A 25 25 LYS H H 25 7.604 7.518 0.086 1
1 231 . 2 1 1 A 25 25 LYS HA H 25 4.502 4.537 -0.035 1
1 240 . 2 1 1 A 25 25 LYS C C 25 174.726 175.268 -0.542 1
1 241 . 2 1 1 A 25 25 LYS CA C 25 54.565 54.138 0.427 1
1 242 . 2 1 1 A 25 25 LYS CB C 25 35.143 34.462 0.681 1
1 246 . 2 1 1 A 25 25 LYS N N 25 116.646 117.603 -0.957 1
1 247 . 2 1 1 A 26 26 PHE H H 26 8.361 8.481 -0.120 1
1 248 . 2 1 1 A 26 26 PHE HA H 26 5.005 4.750 0.255 1
1 256 . 2 1 1 A 26 26 PHE C C 26 176.228 175.708 0.520 1
1 257 . 2 1 1 A 26 26 PHE CA C 26 58.236 58.305 -0.069 1
1 258 . 2 1 1 A 26 26 PHE CB C 26 41.148 39.561 1.587 1
1 264 . 2 1 1 A 26 26 PHE N N 26 118.446 119.948 -1.502 1
1 265 . 2 1 1 A 27 27 TYR H H 27 8.851 8.841 0.010 1
1 266 . 2 1 1 A 27 27 TYR HA H 27 5.045 5.189 -0.144 1
1 273 . 2 1 1 A 27 27 TYR C C 27 175.380 174.785 0.595 1
1 274 . 2 1 1 A 27 27 TYR CA C 27 56.594 56.466 0.128 1
1 275 . 2 1 1 A 27 27 TYR CB C 27 43.856 42.476 1.380 1
1 280 . 2 1 1 A 27 27 TYR N N 27 118.823 122.196 -3.373 1
1 281 . 2 1 1 A 28 28 ARG H H 28 9.026 8.431 0.595 1
1 282 . 2 1 1 A 28 28 ARG HA H 28 4.202 3.213 0.989 1
1 290 . 2 1 1 A 28 28 ARG C C 28 175.789 175.456 0.333 1
1 291 . 2 1 1 A 28 28 ARG CA C 28 57.142 56.570 0.572 1
1 292 . 2 1 1 A 28 28 ARG CB C 28 30.291 30.967 -0.676 1
1 295 . 2 1 1 A 28 28 ARG N N 28 122.262 123.515 -1.253 1
1 297 . 2 1 1 A 29 29 ALA H H 29 9.157 8.365 0.792 1
1 298 . 2 1 1 A 29 29 ALA HA H 29 5.098 4.989 0.109 1
1 302 . 2 1 1 A 29 29 ALA C C 29 175.247 175.102 0.145 1
1 303 . 2 1 1 A 29 29 ALA CA C 29 51.188 51.209 -0.021 1
1 304 . 2 1 1 A 29 29 ALA CB C 29 23.153 22.860 0.293 1
1 305 . 2 1 1 A 29 29 ALA N N 29 126.768 126.988 -0.220 1
1 306 . 2 1 1 A 30 30 GLU H H 30 8.167 8.546 -0.379 1
1 307 . 2 1 1 A 30 30 GLU HA H 30 5.085 4.990 0.095 1
1 312 . 2 1 1 A 30 30 GLU C C 30 176.265 175.112 1.153 1
1 313 . 2 1 1 A 30 30 GLU CA C 30 53.948 55.303 -1.355 1
1 314 . 2 1 1 A 30 30 GLU CB C 30 33.622 33.191 0.431 1
1 316 . 2 1 1 A 30 30 GLU N N 30 118.036 118.246 -0.210 1
1 317 . 2 1 1 A 31 31 VAL H H 31 8.961 8.685 0.276 1
1 318 . 2 1 1 A 31 31 VAL HA H 31 3.545 3.897 -0.352 1
1 326 . 2 1 1 A 31 31 VAL C C 31 175.369 176.190 -0.821 1
1 327 . 2 1 1 A 31 31 VAL CA C 31 64.571 63.245 1.326 1
1 328 . 2 1 1 A 31 31 VAL CB C 31 31.678 31.189 0.489 1
1 331 . 2 1 1 A 31 31 VAL N N 31 124.010 127.417 -3.407 1
1 332 . 2 1 1 A 32 32 GLU H H 32 9.483 9.375 0.108 1
1 333 . 2 1 1 A 32 32 GLU HA H 32 4.627 4.247 0.380 1
1 338 . 2 1 1 A 32 32 GLU C C 32 175.695 176.275 -0.580 1
1 339 . 2 1 1 A 32 32 GLU CA C 32 56.841 58.550 -1.709 1
1 340 . 2 1 1 A 32 32 GLU CB C 32 30.661 30.729 -0.068 1
1 342 . 2 1 1 A 32 32 GLU N N 32 130.912 129.346 1.566 1
1 343 . 2 1 1 A 33 33 ALA H H 33 7.838 7.473 0.365 1
1 344 . 2 1 1 A 33 33 ALA HA H 33 4.456 4.662 -0.206 1
1 348 . 2 1 1 A 33 33 ALA C C 33 174.956 175.740 -0.784 1
1 349 . 2 1 1 A 33 33 ALA CA C 33 51.777 51.612 0.165 1
1 350 . 2 1 1 A 33 33 ALA CB C 33 22.189 22.535 -0.346 1
1 351 . 2 1 1 A 33 33 ALA N N 33 117.714 119.013 -1.299 1
1 352 . 2 1 1 A 34 34 LEU H H 34 8.954 8.773 0.181 1
1 353 . 2 1 1 A 34 34 LEU HA H 34 4.702 4.505 0.197 1
1 363 . 2 1 1 A 34 34 LEU C C 34 176.325 176.964 -0.639 1
1 364 . 2 1 1 A 34 34 LEU CA C 34 53.559 54.467 -0.908 1
1 365 . 2 1 1 A 34 34 LEU CB C 34 42.381 42.604 -0.223 1
1 369 . 2 1 1 A 34 34 LEU N N 34 122.418 123.587 -1.169 1
1 370 . 2 1 1 A 35 35 HIS H H 35 8.022 8.226 -0.204 1
1 371 . 2 1 1 A 35 35 HIS HA H 35 4.544 4.823 -0.279 1
1 376 . 2 1 1 A 35 35 HIS C C 35 178.300 175.879 2.421 1
1 377 . 2 1 1 A 35 35 HIS CA C 35 57.706 56.219 1.487 1
1 378 . 2 1 1 A 35 35 HIS CB C 35 32.594 31.249 1.345 1
1 381 . 2 1 1 A 35 35 HIS N N 35 123.729 121.694 2.035 1
1 382 . 2 1 1 A 37 37 SER H H 37 10.111 7.319 2.792 1
1 383 . 2 1 1 A 37 37 SER HA H 37 4.339 4.187 0.152 1
1 386 . 2 1 1 A 37 37 SER C C 37 176.434 174.756 1.678 1
1 387 . 2 1 1 A 37 37 SER CA C 37 59.895 61.345 -1.450 1
1 388 . 2 1 1 A 37 37 SER CB C 37 63.665 63.610 0.055 1
1 389 . 2 1 1 A 37 37 SER N N 37 119.788 114.058 5.730 1
1 390 . 2 1 1 A 38 38 GLY H H 38 8.136 7.949 0.187 1
1 391 . 2 1 1 A 38 38 GLY HA2 H 38 4.257 4.110 0.147 1
1 392 . 2 1 1 A 38 38 GLY HA3 H 38 3.981 4.133 -0.152 1
1 393 . 2 1 1 A 38 38 GLY C C 38 174.441 174.343 0.098 1
1 394 . 2 1 1 A 38 38 GLY CA C 38 46.006 45.391 0.615 1
1 395 . 2 1 1 A 38 38 GLY N N 38 108.557 105.913 2.644 1
1 396 . 2 1 1 A 39 39 MET H H 39 8.180 8.199 -0.019 1
1 397 . 2 1 1 A 39 39 MET HA H 39 4.789 4.704 0.085 1
1 405 . 2 1 1 A 39 39 MET C C 39 177.404 175.997 1.407 1
1 406 . 2 1 1 A 39 39 MET CA C 39 55.889 56.340 -0.451 1
1 407 . 2 1 1 A 39 39 MET CB C 39 34.033 35.306 -1.273 1
1 410 . 2 1 1 A 39 39 MET N N 39 113.829 115.985 -2.156 1
1 411 . 2 1 1 A 40 40 THR H H 40 7.174 8.078 -0.904 1
1 412 . 2 1 1 A 40 40 THR HA H 40 5.182 4.914 0.268 1
1 417 . 2 1 1 A 40 40 THR C C 40 172.981 173.756 -0.775 1
1 418 . 2 1 1 A 40 40 THR CA C 40 59.559 60.044 -0.485 1
1 419 . 2 1 1 A 40 40 THR CB C 40 73.120 71.751 1.369 1
1 421 . 2 1 1 A 40 40 THR N N 40 108.160 109.866 -1.706 1
1 422 . 2 1 1 A 41 41 ALA H H 41 9.245 8.397 0.848 1
1 423 . 2 1 1 A 41 41 ALA HA H 41 4.932 4.883 0.049 1
1 427 . 2 1 1 A 41 41 ALA C C 41 175.635 176.100 -0.465 1
1 428 . 2 1 1 A 41 41 ALA CA C 41 50.417 51.518 -1.101 1
1 429 . 2 1 1 A 41 41 ALA CB C 41 22.600 23.077 -0.477 1
1 430 . 2 1 1 A 41 41 ALA N N 41 122.138 122.020 0.118 1
1 431 . 2 1 1 A 42 42 VAL H H 42 8.773 8.912 -0.139 1
1 432 . 2 1 1 A 42 42 VAL HA H 42 4.789 4.260 0.529 1
1 440 . 2 1 1 A 42 42 VAL C C 42 176.410 175.630 0.780 1
1 441 . 2 1 1 A 42 42 VAL CA C 42 62.083 62.660 -0.577 1
1 442 . 2 1 1 A 42 42 VAL CB C 42 32.776 31.387 1.389 1
1 445 . 2 1 1 A 42 42 VAL N N 42 120.320 121.430 -1.110 1
1 446 . 2 1 1 A 43 43 VAL H H 43 9.224 8.637 0.587 1
1 447 . 2 1 1 A 43 43 VAL HA H 43 5.013 4.917 0.096 1
1 455 . 2 1 1 A 43 43 VAL C C 43 172.532 173.757 -1.225 1
1 456 . 2 1 1 A 43 43 VAL CA C 43 57.812 59.047 -1.235 1
1 457 . 2 1 1 A 43 43 VAL CB C 43 34.280 34.200 0.080 1
1 460 . 2 1 1 A 43 43 VAL N N 43 121.151 122.566 -1.415 1
1 461 . 2 1 1 A 44 44 LYS H H 44 8.645 8.487 0.158 1
1 462 . 2 1 1 A 44 44 LYS HA H 44 4.627 4.775 -0.148 1
1 471 . 2 1 1 A 44 44 LYS C C 44 177.419 175.204 2.215 1
1 472 . 2 1 1 A 44 44 LYS CA C 44 53.612 54.463 -0.851 1
1 473 . 2 1 1 A 44 44 LYS CB C 44 35.143 35.056 0.087 1
1 477 . 2 1 1 A 44 44 LYS N N 44 121.425 123.575 -2.150 1
1 478 . 2 1 1 A 45 45 PHE H H 45 8.823 8.777 0.046 1
1 479 . 2 1 1 A 45 45 PHE HA H 45 4.505 4.608 -0.103 1
1 487 . 2 1 1 A 45 45 PHE C C 45 177.585 176.465 1.120 1
1 488 . 2 1 1 A 45 45 PHE CA C 45 59.841 58.257 1.584 1
1 489 . 2 1 1 A 45 45 PHE CB C 45 38.598 39.351 -0.753 1
1 495 . 2 1 1 A 45 45 PHE N N 45 128.232 125.756 2.476 1
1 496 . 2 1 1 A 46 46 THR H H 46 8.281 8.539 -0.258 1
1 497 . 2 1 1 A 46 46 THR HA H 46 3.738 4.033 -0.295 1
1 502 . 2 1 1 A 46 46 THR C C 46 176.410 176.151 0.259 1
1 503 . 2 1 1 A 46 46 THR CA C 46 65.930 65.421 0.509 1
1 504 . 2 1 1 A 46 46 THR CB C 46 68.743 68.933 -0.190 1
1 506 . 2 1 1 A 46 46 THR N N 46 120.729 120.088 0.641 1
1 507 . 2 1 1 A 47 47 ASP H H 47 9.166 8.414 0.752 1
1 508 . 2 1 1 A 47 47 ASP HA H 47 4.300 3.973 0.327 1
1 511 . 2 1 1 A 47 47 ASP C C 47 176.844 177.034 -0.190 1
1 512 . 2 1 1 A 47 47 ASP CA C 47 57.283 57.260 0.023 1
1 513 . 2 1 1 A 47 47 ASP CB C 47 40.037 40.034 0.003 1
1 514 . 2 1 1 A 47 47 ASP N N 47 120.635 120.478 0.157 1
1 515 . 2 1 1 A 48 48 TYR H H 48 7.676 7.546 0.130 1
1 516 . 2 1 1 A 48 48 TYR HA H 48 4.605 4.647 -0.042 1
1 523 . 2 1 1 A 48 48 TYR C C 48 177.343 176.195 1.148 1
1 524 . 2 1 1 A 48 48 TYR CA C 48 57.777 58.237 -0.460 1
1 525 . 2 1 1 A 48 48 TYR CB C 48 39.914 41.039 -1.125 1
1 530 . 2 1 1 A 48 48 TYR N N 48 114.763 113.353 1.410 1
1 531 . 2 1 1 A 49 49 GLY H H 49 8.065 8.281 -0.216 1
1 532 . 2 1 1 A 49 49 GLY HA2 H 49 4.023 4.014 0.009 1
1 533 . 2 1 1 A 49 49 GLY HA3 H 49 3.571 4.015 -0.444 1
1 534 . 2 1 1 A 49 49 GLY C C 49 172.707 174.208 -1.501 1
1 535 . 2 1 1 A 49 49 GLY CA C 49 46.165 45.434 0.731 1
1 536 . 2 1 1 A 49 49 GLY N N 49 107.679 107.932 -0.253 1
1 537 . 2 1 1 A 50 50 ASN H H 50 8.836 8.092 0.744 1
1 538 . 2 1 1 A 50 50 ASN HA H 50 4.777 5.059 -0.282 1
1 543 . 2 1 1 A 50 50 ASN C C 50 173.696 173.474 0.222 1
1 544 . 2 1 1 A 50 50 ASN CA C 50 52.747 51.608 1.139 1
1 545 . 2 1 1 A 50 50 ASN CB C 50 37.710 40.816 -3.106 1
1 546 . 2 1 1 A 50 50 ASN N N 50 114.795 116.481 -1.686 1
1 548 . 2 1 1 A 51 51 TYR H H 51 8.726 8.572 0.154 1
1 549 . 2 1 1 A 51 51 TYR HA H 51 5.696 5.033 0.663 1
1 556 . 2 1 1 A 51 51 TYR C C 51 176.871 175.944 0.927 1
1 557 . 2 1 1 A 51 51 TYR CA C 51 56.789 58.779 -1.990 1
1 558 . 2 1 1 A 51 51 TYR CB C 51 40.037 40.000 0.037 1
1 563 . 2 1 1 A 51 51 TYR N N 51 120.703 122.368 -1.665 1
1 564 . 2 1 1 A 52 52 GLU H H 52 8.995 9.145 -0.150 1
1 565 . 2 1 1 A 52 52 GLU HA H 52 4.981 5.045 -0.064 1
1 570 . 2 1 1 A 52 52 GLU C C 52 174.629 175.256 -0.627 1
1 571 . 2 1 1 A 52 52 GLU CA C 52 54.070 55.196 -1.126 1
1 572 . 2 1 1 A 52 52 GLU CB C 52 34.814 33.802 1.012 1
1 574 . 2 1 1 A 52 52 GLU N N 52 118.929 121.854 -2.925 1
1 575 . 2 1 1 A 53 53 GLU H H 53 8.995 8.705 0.290 1
1 576 . 2 1 1 A 53 53 GLU HA H 53 5.175 4.587 0.588 1
1 581 . 2 1 1 A 53 53 GLU C C 53 176.301 175.466 0.835 1
1 582 . 2 1 1 A 53 53 GLU CA C 53 55.500 56.460 -0.960 1
1 583 . 2 1 1 A 53 53 GLU CB C 53 30.537 30.020 0.517 1
1 585 . 2 1 1 A 53 53 GLU N N 53 122.819 125.120 -2.301 1
1 586 . 2 1 1 A 54 54 VAL H H 54 9.375 8.191 1.184 1
1 587 . 2 1 1 A 54 54 VAL HA H 54 4.739 4.665 0.074 1
1 595 . 2 1 1 A 54 54 VAL C C 54 175.017 175.014 0.003 1
1 596 . 2 1 1 A 54 54 VAL CA C 54 59.647 60.652 -1.005 1
1 597 . 2 1 1 A 54 54 VAL CB C 54 36.171 35.801 0.370 1
1 600 . 2 1 1 A 54 54 VAL N N 54 125.177 126.803 -1.626 1
1 601 . 2 1 1 A 55 55 LEU H H 55 8.744 8.564 0.180 1
1 602 . 2 1 1 A 55 55 LEU HA H 55 4.500 4.447 0.053 1
1 612 . 2 1 1 A 55 55 LEU C C 55 179.440 178.554 0.886 1
1 613 . 2 1 1 A 55 55 LEU CA C 55 55.495 54.780 0.715 1
1 614 . 2 1 1 A 55 55 LEU CB C 55 42.628 42.210 0.418 1
1 618 . 2 1 1 A 55 55 LEU N N 55 123.920 125.688 -1.768 1
1 619 . 2 1 1 A 56 56 LEU H H 56 8.324 8.510 -0.186 1
1 620 . 2 1 1 A 56 56 LEU HA H 56 3.855 4.069 -0.214 1
1 630 . 2 1 1 A 56 56 LEU C C 56 178.810 178.945 -0.135 1
1 631 . 2 1 1 A 56 56 LEU CA C 56 57.883 57.360 0.523 1
1 632 . 2 1 1 A 56 56 LEU CB C 56 41.330 41.659 -0.329 1
1 636 . 2 1 1 A 56 56 LEU N N 56 123.383 123.447 -0.064 1
1 637 . 2 1 1 A 57 57 SER H H 57 7.886 8.002 -0.116 1
1 638 . 2 1 1 A 57 57 SER HA H 57 4.364 4.370 -0.006 1
1 641 . 2 1 1 A 57 57 SER C C 57 174.944 175.488 -0.544 1
1 642 . 2 1 1 A 57 57 SER CA C 57 59.859 61.098 -1.239 1
1 643 . 2 1 1 A 57 57 SER CB C 57 62.509 63.028 -0.519 1
1 644 . 2 1 1 A 57 57 SER N N 57 109.927 114.731 -4.804 1
1 645 . 2 1 1 A 58 58 ASN H H 58 8.085 7.974 0.111 1
1 646 . 2 1 1 A 58 58 ASN HA H 58 5.275 5.010 0.265 1
1 651 . 2 1 1 A 58 58 ASN C C 58 172.402 174.247 -1.845 1
1 652 . 2 1 1 A 58 58 ASN CA C 58 52.535 53.214 -0.679 1
1 653 . 2 1 1 A 58 58 ASN CB C 58 39.585 39.130 0.455 1
1 654 . 2 1 1 A 58 58 ASN N N 58 120.812 116.831 3.981 1
1 656 . 2 1 1 A 59 59 ILE H H 59 7.291 7.361 -0.070 1
1 657 . 2 1 1 A 59 59 ILE HA H 59 5.125 5.177 -0.052 1
1 667 . 2 1 1 A 59 59 ILE C C 59 174.980 175.177 -0.197 1
1 668 . 2 1 1 A 59 59 ILE CA C 59 60.659 59.566 1.093 1
1 669 . 2 1 1 A 59 59 ILE CB C 59 39.996 41.318 -1.322 1
1 673 . 2 1 1 A 59 59 ILE N N 59 115.444 121.385 -5.941 1
1 674 . 2 1 1 A 60 60 LYS H H 60 9.366 8.584 0.782 1
1 675 . 2 1 1 A 60 60 LYS HA H 60 5.300 5.087 0.213 1
1 684 . 2 1 1 A 60 60 LYS C C 60 173.381 174.421 -1.040 1
1 685 . 2 1 1 A 60 60 LYS CA C 60 52.977 53.021 -0.044 1
1 686 . 2 1 1 A 60 60 LYS CB C 60 34.814 34.779 0.035 1
1 690 . 2 1 1 A 60 60 LYS N N 60 122.819 124.475 -1.656 1
1 691 . 2 1 1 A 61 61 PRO HA H 61 5.027 5.046 -0.019 1
1 698 . 2 1 1 A 61 61 PRO C C 61 176.256 177.187 -0.931 1
1 699 . 2 1 1 A 61 61 PRO CA C 61 62.754 63.037 -0.283 1
1 700 . 2 1 1 A 61 61 PRO CB C 61 32.594 31.817 0.777 1
1 703 . 2 1 1 A 62 62 VAL H H 62 8.525 7.945 0.580 1
1 704 . 2 1 1 A 62 62 VAL HA H 62 3.969 4.257 -0.288 1
1 712 . 2 1 1 A 62 62 VAL C C 62 176.192 176.190 0.002 1
1 713 . 2 1 1 A 62 62 VAL CA C 62 62.895 62.967 -0.072 1
1 714 . 2 1 1 A 62 62 VAL CB C 62 32.059 32.467 -0.408 1
1 717 . 2 1 1 A 62 62 VAL N N 62 117.807 123.347 -5.540 1
1 718 . 2 1 1 A 63 63 GLN H H 63 7.815 8.511 -0.696 1
1 719 . 2 1 1 A 63 63 GLN HA H 63 4.415 4.365 0.050 1
1 726 . 2 1 1 A 63 63 GLN C C 63 175.716 175.546 0.170 1
1 727 . 2 1 1 A 63 63 GLN CA C 63 55.535 56.949 -1.414 1
1 728 . 2 1 1 A 63 63 GLN CB C 63 29.468 29.613 -0.145 1
1 730 . 2 1 1 A 63 63 GLN N N 63 122.188 126.159 -3.971 1
1 732 . 2 1 1 A 64 64 THR H H 64 8.185 8.551 -0.366 1
1 733 . 2 1 1 A 64 64 THR HA H 64 4.154 4.964 -0.810 1
1 738 . 2 1 1 A 64 64 THR C C 64 174.616 173.925 0.691 1
1 739 . 2 1 1 A 64 64 THR CA C 64 62.277 60.224 2.053 1
1 740 . 2 1 1 A 64 64 THR CB C 64 69.565 71.828 -2.263 1
1 742 . 2 1 1 A 64 64 THR N N 64 116.169 116.680 -0.511 1
1 743 . 2 1 1 A 65 65 GLU H H 65 8.460 8.836 -0.376 1
1 744 . 2 1 1 A 65 65 GLU HA H 65 4.174 4.665 -0.491 1
1 749 . 2 1 1 A 65 65 GLU C C 65 176.216 176.725 -0.509 1
1 750 . 2 1 1 A 65 65 GLU CA C 65 56.647 56.495 0.152 1
1 751 . 2 1 1 A 65 65 GLU CB C 65 30.044 29.065 0.979 1
1 753 . 2 1 1 A 65 65 GLU N N 65 123.014 122.881 0.133 1
1 754 . 2 1 1 A 66 66 ALA H H 66 8.245 8.122 0.123 1
1 755 . 2 1 1 A 66 66 ALA HA H 66 4.205 4.599 -0.394 1
1 759 . 2 1 1 A 66 66 ALA C C 66 177.258 177.001 0.257 1
1 760 . 2 1 1 A 66 66 ALA CA C 66 52.730 51.473 1.257 1
1 761 . 2 1 1 A 66 66 ALA CB C 66 19.064 18.829 0.235 1
1 762 . 2 1 1 A 66 66 ALA N N 66 124.251 121.900 2.351 1
1 763 . 2 1 1 A 67 67 TRP H H 67 7.875 7.800 0.075 1
1 764 . 2 1 1 A 67 67 TRP HA H 67 4.609 4.607 0.002 1
1 772 . 2 1 1 A 67 67 TRP C C 67 175.889 176.461 -0.572 1
1 773 . 2 1 1 A 67 67 TRP CA C 67 57.106 58.566 -1.460 1
1 774 . 2 1 1 A 67 67 TRP CB C 67 29.427 30.395 -0.968 1
1 779 . 2 1 1 A 67 67 TRP N N 67 119.568 120.900 -1.332 1
1 781 . 2 1 1 A 68 68 VAL H H 68 7.815 8.702 -0.887 1
1 782 . 2 1 1 A 68 68 VAL HA H 68 3.917 4.279 -0.362 1
1 790 . 2 1 1 A 68 68 VAL C C 68 175.368 176.079 -0.711 1
1 791 . 2 1 1 A 68 68 VAL CA C 68 62.189 61.822 0.367 1
1 792 . 2 1 1 A 68 68 VAL CB C 68 32.981 29.004 3.977 1
1 795 . 2 1 1 A 68 68 VAL N N 68 122.485 125.447 -2.962 1
1 796 . 2 1 1 A 69 69 ARG H H 69 8.084 8.001 0.083 1
1 797 . 2 1 1 A 69 69 ARG HA H 69 4.107 4.159 -0.052 1
1 804 . 2 1 1 A 69 69 ARG C C 69 175.465 175.564 -0.099 1
1 805 . 2 1 1 A 69 69 ARG CA C 69 55.841 58.240 -2.399 1
1 806 . 2 1 1 A 69 69 ARG CB C 69 30.949 31.077 -0.128 1
1 809 . 2 1 1 A 69 69 ARG N N 69 124.540 124.414 0.126 1
1 810 . 2 1 1 A 70 70 ASP H H 70 8.365 7.830 0.535 1
1 811 . 2 1 1 A 70 70 ASP HA H 70 4.780 5.053 -0.273 1
1 814 . 2 1 1 A 70 70 ASP C C 70 175.319 173.228 2.091 1
1 815 . 2 1 1 A 70 70 ASP CA C 70 51.882 50.708 1.174 1
1 816 . 2 1 1 A 70 70 ASP CB C 70 41.312 44.457 -3.145 1
1 817 . 2 1 1 A 70 70 ASP N N 70 123.498 118.117 5.381 1
1 818 . 2 1 1 A 71 71 PRO HA H 71 4.355 4.813 -0.458 1
1 825 . 2 1 1 A 71 71 PRO C C 71 177.091 176.266 0.825 1
1 826 . 2 1 1 A 71 71 PRO CA C 71 63.777 62.743 1.034 1
1 827 . 2 1 1 A 71 71 PRO CB C 71 32.118 31.602 0.516 1
1 830 . 2 1 1 A 72 72 ASN H H 72 8.521 8.416 0.105 1
1 831 . 2 1 1 A 72 72 ASN HA H 72 4.764 5.240 -0.476 1
1 836 . 2 1 1 A 72 72 ASN C C 72 175.312 173.798 1.514 1
1 837 . 2 1 1 A 72 72 ASN CA C 72 53.471 52.281 1.190 1
1 838 . 2 1 1 A 72 72 ASN CB C 72 38.869 42.051 -3.182 1
1 839 . 2 1 1 A 72 72 ASN N N 72 117.256 116.705 0.551 1
1 841 . 2 1 1 A 73 73 SER H H 73 7.937 8.774 -0.837 1
1 842 . 2 1 1 A 73 73 SER HA H 73 4.429 4.689 -0.260 1
1 845 . 2 1 1 A 73 73 SER C C 73 174.532 174.591 -0.059 1
1 846 . 2 1 1 A 73 73 SER CA C 73 58.642 58.122 0.520 1
1 847 . 2 1 1 A 73 73 SER CB C 73 64.137 63.505 0.632 1
1 848 . 2 1 1 A 73 73 SER N N 73 115.503 114.902 0.601 1
1 849 . 2 1 1 A 74 74 GLY H H 74 8.206 8.269 -0.063 1
1 850 . 2 1 1 A 74 74 GLY HA2 H 74 4.071 4.081 -0.010 1
1 851 . 2 1 1 A 74 74 GLY HA3 H 74 4.123 4.081 0.042 1
1 852 . 2 1 1 A 74 74 GLY C C 74 171.781 173.560 -1.779 1
1 853 . 2 1 1 A 74 74 GLY CA C 74 44.682 44.677 0.005 1
1 854 . 2 1 1 A 74 74 GLY N N 74 110.659 108.482 2.177 1
1 855 . 2 1 1 A 75 75 PRO HA H 75 4.446 4.546 -0.100 1
1 862 . 2 1 1 A 75 75 PRO C C 75 177.407 176.360 1.047 1
1 863 . 2 1 1 A 75 75 PRO CA C 75 63.212 62.469 0.743 1
1 864 . 2 1 1 A 75 75 PRO CB C 75 32.182 32.574 -0.392 1
1 867 . 2 1 1 A 76 76 SER H H 76 8.504 8.561 -0.057 1
1 868 . 2 1 1 A 76 76 SER HA H 76 4.489 4.577 -0.088 1
1 871 . 2 1 1 A 76 76 SER C C 76 174.677 174.237 0.440 1
1 872 . 2 1 1 A 76 76 SER CA C 76 58.359 57.605 0.754 1
1 873 . 2 1 1 A 76 76 SER CB C 76 64.013 63.952 0.061 1
1 874 . 2 1 1 A 76 76 SER N N 76 116.388 115.311 1.077 1
1 875 . 2 1 1 A 77 77 SER H H 77 8.312 8.432 -0.120 1
1 876 . 2 1 1 A 77 77 SER C C 77 173.914 173.134 0.780 1
1 877 . 2 1 1 A 77 77 SER CA C 77 58.342 57.819 0.523 1
1 878 . 2 1 1 A 77 77 SER CB C 77 64.013 66.486 -2.473 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.892 3.849 0.043 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.892 3.850 0.042 1
1 3 . 3 1 1 A 7 7 GLY C C 7 173.405 173.014 0.391 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.070 46.563 -1.493 1
1 5 . 3 1 1 A 8 8 LYS H H 8 7.913 8.354 -0.441 1
1 6 . 3 1 1 A 8 8 LYS HA H 8 4.031 4.971 -0.940 1
1 15 . 3 1 1 A 8 8 LYS C C 8 175.501 174.692 0.809 1
1 16 . 3 1 1 A 8 8 LYS CA C 8 55.765 55.053 0.712 1
1 17 . 3 1 1 A 8 8 LYS CB C 8 33.046 35.698 -2.652 1
1 21 . 3 1 1 A 8 8 LYS N N 8 121.849 125.652 -3.803 1
1 22 . 3 1 1 A 9 9 VAL H H 9 8.175 8.531 -0.356 1
1 23 . 3 1 1 A 9 9 VAL HA H 9 4.082 4.448 -0.366 1
1 31 . 3 1 1 A 9 9 VAL C C 9 175.680 175.106 0.574 1
1 32 . 3 1 1 A 9 9 VAL CA C 9 61.571 61.154 0.417 1
1 33 . 3 1 1 A 9 9 VAL CB C 9 32.224 34.685 -2.461 1
1 36 . 3 1 1 A 9 9 VAL N N 9 125.536 124.436 1.100 1
1 37 . 3 1 1 A 10 10 TRP H H 10 8.125 8.637 -0.512 1
1 38 . 3 1 1 A 10 10 TRP HA H 10 4.667 4.941 -0.274 1
1 47 . 3 1 1 A 10 10 TRP C C 10 174.859 176.428 -1.569 1
1 48 . 3 1 1 A 10 10 TRP CA C 10 57.088 57.290 -0.202 1
1 49 . 3 1 1 A 10 10 TRP CB C 10 31.730 30.653 1.077 1
1 55 . 3 1 1 A 10 10 TRP N N 10 127.817 127.852 -0.035 1
1 57 . 3 1 1 A 11 11 LYS H H 11 9.090 8.927 0.163 1
1 58 . 3 1 1 A 11 11 LYS HA H 11 4.856 4.876 -0.020 1
1 67 . 3 1 1 A 11 11 LYS C C 11 172.968 174.117 -1.149 1
1 68 . 3 1 1 A 11 11 LYS CA C 11 53.330 53.259 0.071 1
1 69 . 3 1 1 A 11 11 LYS CB C 11 33.827 35.446 -1.619 1
1 73 . 3 1 1 A 11 11 LYS N N 11 120.688 120.375 0.313 1
1 74 . 3 1 1 A 12 12 PRO HA H 12 3.894 4.550 -0.656 1
1 81 . 3 1 1 A 12 12 PRO C C 12 177.287 177.547 -0.260 1
1 82 . 3 1 1 A 12 12 PRO CA C 12 63.812 63.580 0.232 1
1 83 . 3 1 1 A 12 12 PRO CB C 12 31.278 30.969 0.309 1
1 86 . 3 1 1 A 13 13 GLY H H 13 9.494 8.523 0.971 1
1 87 . 3 1 1 A 13 13 GLY HA2 H 13 4.431 4.089 0.342 1
1 88 . 3 1 1 A 13 13 GLY HA3 H 13 3.746 4.092 -0.346 1
1 89 . 3 1 1 A 13 13 GLY C C 13 174.798 173.492 1.306 1
1 90 . 3 1 1 A 13 13 GLY CA C 13 44.559 45.136 -0.577 1
1 91 . 3 1 1 A 13 13 GLY N N 13 114.764 112.909 1.855 1
1 92 . 3 1 1 A 14 14 ASP H H 14 8.005 7.991 0.014 1
1 93 . 3 1 1 A 14 14 ASP HA H 14 4.665 4.992 -0.327 1
1 96 . 3 1 1 A 14 14 ASP C C 14 176.143 175.785 0.358 1
1 97 . 3 1 1 A 14 14 ASP CA C 14 55.553 53.183 2.370 1
1 98 . 3 1 1 A 14 14 ASP CB C 14 41.600 44.003 -2.403 1
1 99 . 3 1 1 A 14 14 ASP N N 14 121.257 120.148 1.109 1
1 100 . 3 1 1 A 15 15 GLU H H 15 8.645 8.784 -0.139 1
1 101 . 3 1 1 A 15 15 GLU HA H 15 4.852 4.230 0.622 1
1 106 . 3 1 1 A 15 15 GLU C C 15 175.679 176.330 -0.651 1
1 107 . 3 1 1 A 15 15 GLU CA C 15 55.783 56.731 -0.948 1
1 108 . 3 1 1 A 15 15 GLU CB C 15 31.295 30.020 1.275 1
1 110 . 3 1 1 A 15 15 GLU N N 15 121.409 124.388 -2.979 1
1 111 . 3 1 1 A 16 16 CYS H H 16 8.735 9.159 -0.424 1
1 112 . 3 1 1 A 16 16 CYS HA H 16 5.086 5.191 -0.105 1
1 115 . 3 1 1 A 16 16 CYS C C 16 172.636 172.723 -0.087 1
1 116 . 3 1 1 A 16 16 CYS CA C 16 56.418 56.529 -0.111 1
1 117 . 3 1 1 A 16 16 CYS CB C 16 32.553 31.682 0.871 1
1 118 . 3 1 1 A 16 16 CYS N N 16 116.207 119.354 -3.147 1
1 119 . 3 1 1 A 17 17 PHE H H 17 9.125 9.150 -0.025 1
1 120 . 3 1 1 A 17 17 PHE HA H 17 5.235 5.571 -0.336 1
1 128 . 3 1 1 A 17 17 PHE C C 17 174.823 174.976 -0.153 1
1 129 . 3 1 1 A 17 17 PHE CA C 17 57.547 56.651 0.896 1
1 130 . 3 1 1 A 17 17 PHE CB C 17 42.053 41.146 0.907 1
1 136 . 3 1 1 A 17 17 PHE N N 17 116.836 118.827 -1.991 1
1 137 . 3 1 1 A 18 18 ALA H H 18 9.373 8.999 0.374 1
1 138 . 3 1 1 A 18 18 ALA HA H 18 5.552 5.457 0.095 1
1 142 . 3 1 1 A 18 18 ALA C C 18 175.841 175.918 -0.077 1
1 143 . 3 1 1 A 18 18 ALA CA C 18 50.147 49.964 0.183 1
1 144 . 3 1 1 A 18 18 ALA CB C 18 23.798 21.862 1.936 1
1 145 . 3 1 1 A 18 18 ALA N N 18 122.751 126.734 -3.983 1
1 146 . 3 1 1 A 19 19 LEU H H 19 7.487 8.778 -1.291 1
1 147 . 3 1 1 A 19 19 LEU HA H 19 3.514 4.898 -1.384 1
1 157 . 3 1 1 A 19 19 LEU C C 19 175.598 176.272 -0.674 1
1 158 . 3 1 1 A 19 19 LEU CA C 19 55.165 53.963 1.202 1
1 159 . 3 1 1 A 19 19 LEU CB C 19 43.656 42.650 1.006 1
1 163 . 3 1 1 A 19 19 LEU N N 19 123.529 125.031 -1.502 1
1 164 . 3 1 1 A 20 20 TYR H H 20 9.405 8.536 0.869 1
1 165 . 3 1 1 A 20 20 TYR HA H 20 4.939 4.466 0.473 1
1 172 . 3 1 1 A 20 20 TYR C C 20 176.593 177.224 -0.631 1
1 173 . 3 1 1 A 20 20 TYR CA C 20 55.201 59.195 -3.994 1
1 174 . 3 1 1 A 20 20 TYR CB C 20 37.899 39.045 -1.146 1
1 179 . 3 1 1 A 20 20 TYR N N 20 132.207 127.026 5.181 1
1 180 . 3 1 1 A 21 21 TRP H H 21 8.475 8.288 0.187 1
1 181 . 3 1 1 A 21 21 TRP HA H 21 4.087 4.498 -0.411 1
1 190 . 3 1 1 A 21 21 TRP C C 21 177.283 176.413 0.870 1
1 191 . 3 1 1 A 21 21 TRP CA C 21 58.695 58.496 0.199 1
1 192 . 3 1 1 A 21 21 TRP CB C 21 28.111 28.848 -0.737 1
1 198 . 3 1 1 A 21 21 TRP N N 21 128.228 127.670 0.558 1
1 200 . 3 1 1 A 22 22 GLU H H 22 4.195 7.229 -3.034 1
1 201 . 3 1 1 A 22 22 GLU HA H 22 2.895 4.178 -1.283 1
1 206 . 3 1 1 A 22 22 GLU C C 22 176.342 177.209 -0.867 1
1 207 . 3 1 1 A 22 22 GLU CA C 22 59.753 56.881 2.872 1
1 208 . 3 1 1 A 22 22 GLU CB C 22 29.468 30.732 -1.264 1
1 210 . 3 1 1 A 22 22 GLU N N 22 117.591 119.092 -1.501 1
1 211 . 3 1 1 A 23 23 ASP H H 23 6.695 8.061 -1.366 1
1 212 . 3 1 1 A 23 23 ASP HA H 23 4.554 4.728 -0.174 1
1 215 . 3 1 1 A 23 23 ASP C C 23 176.047 175.477 0.570 1
1 216 . 3 1 1 A 23 23 ASP CA C 23 51.970 53.683 -1.713 1
1 217 . 3 1 1 A 23 23 ASP CB C 23 41.353 42.051 -0.698 1
1 218 . 3 1 1 A 23 23 ASP N N 23 112.180 116.666 -4.486 1
1 219 . 3 1 1 A 24 24 ASN H H 24 8.248 8.361 -0.113 1
1 220 . 3 1 1 A 24 24 ASN HA H 24 4.055 4.559 -0.504 1
1 225 . 3 1 1 A 24 24 ASN C C 24 173.702 173.616 0.086 1
1 226 . 3 1 1 A 24 24 ASN CA C 24 54.794 54.456 0.338 1
1 227 . 3 1 1 A 24 24 ASN CB C 24 37.940 36.746 1.194 1
1 228 . 3 1 1 A 24 24 ASN N N 24 116.693 115.430 1.263 1
1 230 . 3 1 1 A 25 25 LYS H H 25 7.604 7.532 0.072 1
1 231 . 3 1 1 A 25 25 LYS HA H 25 4.502 4.528 -0.026 1
1 240 . 3 1 1 A 25 25 LYS C C 25 174.726 175.314 -0.588 1
1 241 . 3 1 1 A 25 25 LYS CA C 25 54.565 54.307 0.258 1
1 242 . 3 1 1 A 25 25 LYS CB C 25 35.143 34.450 0.693 1
1 246 . 3 1 1 A 25 25 LYS N N 25 116.646 117.362 -0.716 1
1 247 . 3 1 1 A 26 26 PHE H H 26 8.361 8.318 0.043 1
1 248 . 3 1 1 A 26 26 PHE HA H 26 5.005 4.625 0.380 1
1 256 . 3 1 1 A 26 26 PHE C C 26 176.228 175.920 0.308 1
1 257 . 3 1 1 A 26 26 PHE CA C 26 58.236 58.935 -0.699 1
1 258 . 3 1 1 A 26 26 PHE CB C 26 41.148 39.506 1.642 1
1 264 . 3 1 1 A 26 26 PHE N N 26 118.446 121.015 -2.569 1
1 265 . 3 1 1 A 27 27 TYR H H 27 8.851 8.990 -0.139 1
1 266 . 3 1 1 A 27 27 TYR HA H 27 5.045 5.163 -0.118 1
1 273 . 3 1 1 A 27 27 TYR C C 27 175.380 175.053 0.327 1
1 274 . 3 1 1 A 27 27 TYR CA C 27 56.594 56.419 0.175 1
1 275 . 3 1 1 A 27 27 TYR CB C 27 43.856 42.443 1.413 1
1 280 . 3 1 1 A 27 27 TYR N N 27 118.823 122.320 -3.497 1
1 281 . 3 1 1 A 28 28 ARG H H 28 9.026 8.528 0.498 1
1 282 . 3 1 1 A 28 28 ARG HA H 28 4.202 3.152 1.050 1
1 290 . 3 1 1 A 28 28 ARG C C 28 175.789 175.170 0.619 1
1 291 . 3 1 1 A 28 28 ARG CA C 28 57.142 56.688 0.454 1
1 292 . 3 1 1 A 28 28 ARG CB C 28 30.291 30.927 -0.636 1
1 295 . 3 1 1 A 28 28 ARG N N 28 122.262 123.678 -1.416 1
1 297 . 3 1 1 A 29 29 ALA H H 29 9.157 8.292 0.865 1
1 298 . 3 1 1 A 29 29 ALA HA H 29 5.098 4.894 0.204 1
1 302 . 3 1 1 A 29 29 ALA C C 29 175.247 174.916 0.331 1
1 303 . 3 1 1 A 29 29 ALA CA C 29 51.188 51.322 -0.134 1
1 304 . 3 1 1 A 29 29 ALA CB C 29 23.153 22.896 0.257 1
1 305 . 3 1 1 A 29 29 ALA N N 29 126.768 126.766 0.002 1
1 306 . 3 1 1 A 30 30 GLU H H 30 8.167 8.515 -0.348 1
1 307 . 3 1 1 A 30 30 GLU HA H 30 5.085 4.698 0.387 1
1 312 . 3 1 1 A 30 30 GLU C C 30 176.265 174.649 1.616 1
1 313 . 3 1 1 A 30 30 GLU CA C 30 53.948 55.247 -1.299 1
1 314 . 3 1 1 A 30 30 GLU CB C 30 33.622 33.708 -0.086 1
1 316 . 3 1 1 A 30 30 GLU N N 30 118.036 118.379 -0.343 1
1 317 . 3 1 1 A 31 31 VAL H H 31 8.961 8.993 -0.032 1
1 318 . 3 1 1 A 31 31 VAL HA H 31 3.545 3.896 -0.351 1
1 326 . 3 1 1 A 31 31 VAL C C 31 175.369 176.098 -0.729 1
1 327 . 3 1 1 A 31 31 VAL CA C 31 64.571 63.338 1.233 1
1 328 . 3 1 1 A 31 31 VAL CB C 31 31.678 30.821 0.857 1
1 331 . 3 1 1 A 31 31 VAL N N 31 124.010 127.262 -3.252 1
1 332 . 3 1 1 A 32 32 GLU H H 32 9.483 9.162 0.321 1
1 333 . 3 1 1 A 32 32 GLU HA H 32 4.627 4.281 0.346 1
1 338 . 3 1 1 A 32 32 GLU C C 32 175.695 176.305 -0.610 1
1 339 . 3 1 1 A 32 32 GLU CA C 32 56.841 58.584 -1.743 1
1 340 . 3 1 1 A 32 32 GLU CB C 32 30.661 30.704 -0.043 1
1 342 . 3 1 1 A 32 32 GLU N N 32 130.912 129.625 1.287 1
1 343 . 3 1 1 A 33 33 ALA H H 33 7.838 7.425 0.413 1
1 344 . 3 1 1 A 33 33 ALA HA H 33 4.456 4.663 -0.207 1
1 348 . 3 1 1 A 33 33 ALA C C 33 174.956 175.838 -0.882 1
1 349 . 3 1 1 A 33 33 ALA CA C 33 51.777 51.611 0.166 1
1 350 . 3 1 1 A 33 33 ALA CB C 33 22.189 22.530 -0.341 1
1 351 . 3 1 1 A 33 33 ALA N N 33 117.714 118.644 -0.930 1
1 352 . 3 1 1 A 34 34 LEU H H 34 8.954 8.800 0.154 1
1 353 . 3 1 1 A 34 34 LEU HA H 34 4.702 4.445 0.257 1
1 363 . 3 1 1 A 34 34 LEU C C 34 176.325 176.943 -0.618 1
1 364 . 3 1 1 A 34 34 LEU CA C 34 53.559 54.654 -1.095 1
1 365 . 3 1 1 A 34 34 LEU CB C 34 42.381 42.457 -0.076 1
1 369 . 3 1 1 A 34 34 LEU N N 34 122.418 123.634 -1.216 1
1 370 . 3 1 1 A 35 35 HIS H H 35 8.022 8.097 -0.075 1
1 371 . 3 1 1 A 35 35 HIS HA H 35 4.544 4.848 -0.304 1
1 376 . 3 1 1 A 35 35 HIS C C 35 178.300 176.604 1.696 1
1 377 . 3 1 1 A 35 35 HIS CA C 35 57.706 55.868 1.838 1
1 378 . 3 1 1 A 35 35 HIS CB C 35 32.594 31.296 1.298 1
1 381 . 3 1 1 A 35 35 HIS N N 35 123.729 121.723 2.006 1
1 382 . 3 1 1 A 37 37 SER H H 37 10.111 7.986 2.125 1
1 383 . 3 1 1 A 37 37 SER HA H 37 4.339 4.321 0.018 1
1 386 . 3 1 1 A 37 37 SER C C 37 176.434 174.703 1.731 1
1 387 . 3 1 1 A 37 37 SER CA C 37 59.895 60.710 -0.815 1
1 388 . 3 1 1 A 37 37 SER CB C 37 63.665 63.768 -0.103 1
1 389 . 3 1 1 A 37 37 SER N N 37 119.788 115.441 4.347 1
1 390 . 3 1 1 A 38 38 GLY H H 38 8.136 8.118 0.018 1
1 391 . 3 1 1 A 38 38 GLY HA2 H 38 4.257 4.109 0.148 1
1 392 . 3 1 1 A 38 38 GLY HA3 H 38 3.981 4.133 -0.152 1
1 393 . 3 1 1 A 38 38 GLY C C 38 174.441 174.588 -0.147 1
1 394 . 3 1 1 A 38 38 GLY CA C 38 46.006 45.634 0.372 1
1 395 . 3 1 1 A 38 38 GLY N N 38 108.557 108.546 0.011 1
1 396 . 3 1 1 A 39 39 MET H H 39 8.180 8.154 0.026 1
1 397 . 3 1 1 A 39 39 MET HA H 39 4.789 4.651 0.138 1
1 405 . 3 1 1 A 39 39 MET C C 39 177.404 176.130 1.274 1
1 406 . 3 1 1 A 39 39 MET CA C 39 55.889 56.601 -0.712 1
1 407 . 3 1 1 A 39 39 MET CB C 39 34.033 35.445 -1.412 1
1 410 . 3 1 1 A 39 39 MET N N 39 113.829 116.291 -2.462 1
1 411 . 3 1 1 A 40 40 THR H H 40 7.174 7.890 -0.716 1
1 412 . 3 1 1 A 40 40 THR HA H 40 5.182 4.903 0.279 1
1 417 . 3 1 1 A 40 40 THR C C 40 172.981 173.793 -0.812 1
1 418 . 3 1 1 A 40 40 THR CA C 40 59.559 60.081 -0.522 1
1 419 . 3 1 1 A 40 40 THR CB C 40 73.120 71.671 1.449 1
1 421 . 3 1 1 A 40 40 THR N N 40 108.160 109.688 -1.528 1
1 422 . 3 1 1 A 41 41 ALA H H 41 9.245 8.501 0.744 1
1 423 . 3 1 1 A 41 41 ALA HA H 41 4.932 4.906 0.026 1
1 427 . 3 1 1 A 41 41 ALA C C 41 175.635 176.128 -0.493 1
1 428 . 3 1 1 A 41 41 ALA CA C 41 50.417 51.610 -1.193 1
1 429 . 3 1 1 A 41 41 ALA CB C 41 22.600 23.084 -0.484 1
1 430 . 3 1 1 A 41 41 ALA N N 41 122.138 121.982 0.156 1
1 431 . 3 1 1 A 42 42 VAL H H 42 8.773 8.832 -0.059 1
1 432 . 3 1 1 A 42 42 VAL HA H 42 4.789 4.344 0.445 1
1 440 . 3 1 1 A 42 42 VAL C C 42 176.410 175.644 0.766 1
1 441 . 3 1 1 A 42 42 VAL CA C 42 62.083 62.469 -0.386 1
1 442 . 3 1 1 A 42 42 VAL CB C 42 32.776 31.291 1.485 1
1 445 . 3 1 1 A 42 42 VAL N N 42 120.320 121.558 -1.238 1
1 446 . 3 1 1 A 43 43 VAL H H 43 9.224 8.696 0.528 1
1 447 . 3 1 1 A 43 43 VAL HA H 43 5.013 4.903 0.110 1
1 455 . 3 1 1 A 43 43 VAL C C 43 172.532 174.042 -1.510 1
1 456 . 3 1 1 A 43 43 VAL CA C 43 57.812 59.524 -1.712 1
1 457 . 3 1 1 A 43 43 VAL CB C 43 34.280 34.181 0.099 1
1 460 . 3 1 1 A 43 43 VAL N N 43 121.151 122.178 -1.027 1
1 461 . 3 1 1 A 44 44 LYS H H 44 8.645 8.728 -0.083 1
1 462 . 3 1 1 A 44 44 LYS HA H 44 4.627 4.673 -0.046 1
1 471 . 3 1 1 A 44 44 LYS C C 44 177.419 175.534 1.885 1
1 472 . 3 1 1 A 44 44 LYS CA C 44 53.612 55.038 -1.426 1
1 473 . 3 1 1 A 44 44 LYS CB C 44 35.143 34.153 0.990 1
1 477 . 3 1 1 A 44 44 LYS N N 44 121.425 124.699 -3.274 1
1 478 . 3 1 1 A 45 45 PHE H H 45 8.823 9.075 -0.252 1
1 479 . 3 1 1 A 45 45 PHE HA H 45 4.505 4.647 -0.142 1
1 487 . 3 1 1 A 45 45 PHE C C 45 177.585 176.519 1.066 1
1 488 . 3 1 1 A 45 45 PHE CA C 45 59.841 57.905 1.936 1
1 489 . 3 1 1 A 45 45 PHE CB C 45 38.598 39.929 -1.331 1
1 495 . 3 1 1 A 45 45 PHE N N 45 128.232 125.760 2.472 1
1 496 . 3 1 1 A 46 46 THR H H 46 8.281 8.667 -0.386 1
1 497 . 3 1 1 A 46 46 THR HA H 46 3.738 4.084 -0.346 1
1 502 . 3 1 1 A 46 46 THR C C 46 176.410 176.158 0.252 1
1 503 . 3 1 1 A 46 46 THR CA C 46 65.930 64.954 0.976 1
1 504 . 3 1 1 A 46 46 THR CB C 46 68.743 68.815 -0.072 1
1 506 . 3 1 1 A 46 46 THR N N 46 120.729 119.250 1.479 1
1 507 . 3 1 1 A 47 47 ASP H H 47 9.166 8.530 0.636 1
1 508 . 3 1 1 A 47 47 ASP HA H 47 4.300 4.067 0.233 1
1 511 . 3 1 1 A 47 47 ASP C C 47 176.844 177.190 -0.346 1
1 512 . 3 1 1 A 47 47 ASP CA C 47 57.283 57.400 -0.117 1
1 513 . 3 1 1 A 47 47 ASP CB C 47 40.037 40.409 -0.372 1
1 514 . 3 1 1 A 47 47 ASP N N 47 120.635 120.722 -0.087 1
1 515 . 3 1 1 A 48 48 TYR H H 48 7.676 7.675 0.001 1
1 516 . 3 1 1 A 48 48 TYR HA H 48 4.605 4.614 -0.009 1
1 523 . 3 1 1 A 48 48 TYR C C 48 177.343 176.194 1.149 1
1 524 . 3 1 1 A 48 48 TYR CA C 48 57.777 58.615 -0.838 1
1 525 . 3 1 1 A 48 48 TYR CB C 48 39.914 40.927 -1.013 1
1 530 . 3 1 1 A 48 48 TYR N N 48 114.763 113.394 1.369 1
1 531 . 3 1 1 A 49 49 GLY H H 49 8.065 8.230 -0.165 1
1 532 . 3 1 1 A 49 49 GLY HA2 H 49 4.023 4.036 -0.013 1
1 533 . 3 1 1 A 49 49 GLY HA3 H 49 3.571 4.040 -0.469 1
1 534 . 3 1 1 A 49 49 GLY C C 49 172.707 174.195 -1.488 1
1 535 . 3 1 1 A 49 49 GLY CA C 49 46.165 45.206 0.959 1
1 536 . 3 1 1 A 49 49 GLY N N 49 107.679 107.245 0.434 1
1 537 . 3 1 1 A 50 50 ASN H H 50 8.836 8.023 0.813 1
1 538 . 3 1 1 A 50 50 ASN HA H 50 4.777 5.149 -0.372 1
1 543 . 3 1 1 A 50 50 ASN C C 50 173.696 173.478 0.218 1
1 544 . 3 1 1 A 50 50 ASN CA C 50 52.747 51.286 1.461 1
1 545 . 3 1 1 A 50 50 ASN CB C 50 37.710 41.294 -3.584 1
1 546 . 3 1 1 A 50 50 ASN N N 50 114.795 115.916 -1.121 1
1 548 . 3 1 1 A 51 51 TYR H H 51 8.726 8.697 0.029 1
1 549 . 3 1 1 A 51 51 TYR HA H 51 5.696 5.031 0.665 1
1 556 . 3 1 1 A 51 51 TYR C C 51 176.871 175.798 1.073 1
1 557 . 3 1 1 A 51 51 TYR CA C 51 56.789 58.093 -1.304 1
1 558 . 3 1 1 A 51 51 TYR CB C 51 40.037 40.135 -0.098 1
1 563 . 3 1 1 A 51 51 TYR N N 51 120.703 121.208 -0.505 1
1 564 . 3 1 1 A 52 52 GLU H H 52 8.995 9.275 -0.280 1
1 565 . 3 1 1 A 52 52 GLU HA H 52 4.981 5.096 -0.115 1
1 570 . 3 1 1 A 52 52 GLU C C 52 174.629 175.425 -0.796 1
1 571 . 3 1 1 A 52 52 GLU CA C 52 54.070 54.971 -0.901 1
1 572 . 3 1 1 A 52 52 GLU CB C 52 34.814 33.682 1.132 1
1 574 . 3 1 1 A 52 52 GLU N N 52 118.929 121.725 -2.796 1
1 575 . 3 1 1 A 53 53 GLU H H 53 8.995 8.765 0.230 1
1 576 . 3 1 1 A 53 53 GLU HA H 53 5.175 4.602 0.573 1
1 581 . 3 1 1 A 53 53 GLU C C 53 176.301 175.478 0.823 1
1 582 . 3 1 1 A 53 53 GLU CA C 53 55.500 56.321 -0.821 1
1 583 . 3 1 1 A 53 53 GLU CB C 53 30.537 30.023 0.514 1
1 585 . 3 1 1 A 53 53 GLU N N 53 122.819 125.531 -2.712 1
1 586 . 3 1 1 A 54 54 VAL H H 54 9.375 8.264 1.111 1
1 587 . 3 1 1 A 54 54 VAL HA H 54 4.739 4.684 0.055 1
1 595 . 3 1 1 A 54 54 VAL C C 54 175.017 175.033 -0.016 1
1 596 . 3 1 1 A 54 54 VAL CA C 54 59.647 60.675 -1.028 1
1 597 . 3 1 1 A 54 54 VAL CB C 54 36.171 35.691 0.480 1
1 600 . 3 1 1 A 54 54 VAL N N 54 125.177 126.780 -1.603 1
1 601 . 3 1 1 A 55 55 LEU H H 55 8.744 8.504 0.240 1
1 602 . 3 1 1 A 55 55 LEU HA H 55 4.500 4.431 0.069 1
1 612 . 3 1 1 A 55 55 LEU C C 55 179.440 178.532 0.908 1
1 613 . 3 1 1 A 55 55 LEU CA C 55 55.495 54.809 0.686 1
1 614 . 3 1 1 A 55 55 LEU CB C 55 42.628 42.166 0.462 1
1 618 . 3 1 1 A 55 55 LEU N N 55 123.920 125.709 -1.789 1
1 619 . 3 1 1 A 56 56 LEU H H 56 8.324 8.644 -0.320 1
1 620 . 3 1 1 A 56 56 LEU HA H 56 3.855 4.081 -0.226 1
1 630 . 3 1 1 A 56 56 LEU C C 56 178.810 178.928 -0.118 1
1 631 . 3 1 1 A 56 56 LEU CA C 56 57.883 57.485 0.398 1
1 632 . 3 1 1 A 56 56 LEU CB C 56 41.330 41.715 -0.385 1
1 636 . 3 1 1 A 56 56 LEU N N 56 123.383 123.184 0.199 1
1 637 . 3 1 1 A 57 57 SER H H 57 7.886 8.072 -0.186 1
1 638 . 3 1 1 A 57 57 SER HA H 57 4.364 4.399 -0.035 1
1 641 . 3 1 1 A 57 57 SER C C 57 174.944 175.404 -0.460 1
1 642 . 3 1 1 A 57 57 SER CA C 57 59.859 60.755 -0.896 1
1 643 . 3 1 1 A 57 57 SER CB C 57 62.509 62.867 -0.358 1
1 644 . 3 1 1 A 57 57 SER N N 57 109.927 114.451 -4.524 1
1 645 . 3 1 1 A 58 58 ASN H H 58 8.085 8.070 0.015 1
1 646 . 3 1 1 A 58 58 ASN HA H 58 5.275 5.042 0.233 1
1 651 . 3 1 1 A 58 58 ASN C C 58 172.402 173.823 -1.421 1
1 652 . 3 1 1 A 58 58 ASN CA C 58 52.535 53.184 -0.649 1
1 653 . 3 1 1 A 58 58 ASN CB C 58 39.585 39.280 0.305 1
1 654 . 3 1 1 A 58 58 ASN N N 58 120.812 116.380 4.432 1
1 656 . 3 1 1 A 59 59 ILE H H 59 7.291 7.292 -0.001 1
1 657 . 3 1 1 A 59 59 ILE HA H 59 5.125 5.235 -0.110 1
1 667 . 3 1 1 A 59 59 ILE C C 59 174.980 174.710 0.270 1
1 668 . 3 1 1 A 59 59 ILE CA C 59 60.659 59.863 0.796 1
1 669 . 3 1 1 A 59 59 ILE CB C 59 39.996 40.794 -0.798 1
1 673 . 3 1 1 A 59 59 ILE N N 59 115.444 121.564 -6.120 1
1 674 . 3 1 1 A 60 60 LYS H H 60 9.366 8.961 0.405 1
1 675 . 3 1 1 A 60 60 LYS HA H 60 5.300 4.876 0.424 1
1 684 . 3 1 1 A 60 60 LYS C C 60 173.381 174.358 -0.977 1
1 685 . 3 1 1 A 60 60 LYS CA C 60 52.977 52.700 0.277 1
1 686 . 3 1 1 A 60 60 LYS CB C 60 34.814 34.359 0.455 1
1 690 . 3 1 1 A 60 60 LYS N N 60 122.819 126.822 -4.003 1
1 691 . 3 1 1 A 61 61 PRO HA H 61 5.027 5.011 0.016 1
1 698 . 3 1 1 A 61 61 PRO C C 61 176.256 175.817 0.439 1
1 699 . 3 1 1 A 61 61 PRO CA C 61 62.754 62.889 -0.135 1
1 700 . 3 1 1 A 61 61 PRO CB C 61 32.594 32.379 0.215 1
1 703 . 3 1 1 A 62 62 VAL H H 62 8.525 8.682 -0.157 1
1 704 . 3 1 1 A 62 62 VAL HA H 62 3.969 4.447 -0.478 1
1 712 . 3 1 1 A 62 62 VAL C C 62 176.192 175.822 0.370 1
1 713 . 3 1 1 A 62 62 VAL CA C 62 62.895 61.582 1.313 1
1 714 . 3 1 1 A 62 62 VAL CB C 62 32.059 33.478 -1.419 1
1 717 . 3 1 1 A 62 62 VAL N N 62 117.807 122.322 -4.515 1
1 718 . 3 1 1 A 63 63 GLN H H 63 7.815 8.566 -0.751 1
1 719 . 3 1 1 A 63 63 GLN HA H 63 4.415 4.422 -0.007 1
1 726 . 3 1 1 A 63 63 GLN C C 63 175.716 175.914 -0.198 1
1 727 . 3 1 1 A 63 63 GLN CA C 63 55.535 56.892 -1.357 1
1 728 . 3 1 1 A 63 63 GLN CB C 63 29.468 29.655 -0.187 1
1 730 . 3 1 1 A 63 63 GLN N N 63 122.188 126.374 -4.186 1
1 732 . 3 1 1 A 64 64 THR H H 64 8.185 8.549 -0.364 1
1 733 . 3 1 1 A 64 64 THR HA H 64 4.154 4.872 -0.718 1
1 738 . 3 1 1 A 64 64 THR C C 64 174.616 172.278 2.338 1
1 739 . 3 1 1 A 64 64 THR CA C 64 62.277 60.515 1.762 1
1 740 . 3 1 1 A 64 64 THR CB C 64 69.565 70.794 -1.229 1
1 742 . 3 1 1 A 64 64 THR N N 64 116.169 115.448 0.721 1
1 743 . 3 1 1 A 65 65 GLU H H 65 8.460 8.940 -0.480 1
1 744 . 3 1 1 A 65 65 GLU HA H 65 4.174 4.955 -0.781 1
1 749 . 3 1 1 A 65 65 GLU C C 65 176.216 175.950 0.266 1
1 750 . 3 1 1 A 65 65 GLU CA C 65 56.647 55.062 1.585 1
1 751 . 3 1 1 A 65 65 GLU CB C 65 30.044 29.666 0.378 1
1 753 . 3 1 1 A 65 65 GLU N N 65 123.014 126.793 -3.779 1
1 754 . 3 1 1 A 66 66 ALA H H 66 8.245 8.534 -0.289 1
1 755 . 3 1 1 A 66 66 ALA HA H 66 4.205 4.708 -0.503 1
1 759 . 3 1 1 A 66 66 ALA C C 66 177.258 177.250 0.008 1
1 760 . 3 1 1 A 66 66 ALA CA C 66 52.730 50.868 1.862 1
1 761 . 3 1 1 A 66 66 ALA CB C 66 19.064 19.416 -0.352 1
1 762 . 3 1 1 A 66 66 ALA N N 66 124.251 126.841 -2.590 1
1 763 . 3 1 1 A 67 67 TRP H H 67 7.875 7.899 -0.024 1
1 764 . 3 1 1 A 67 67 TRP HA H 67 4.609 4.618 -0.009 1
1 772 . 3 1 1 A 67 67 TRP C C 67 175.889 176.839 -0.950 1
1 773 . 3 1 1 A 67 67 TRP CA C 67 57.106 58.794 -1.688 1
1 774 . 3 1 1 A 67 67 TRP CB C 67 29.427 30.079 -0.652 1
1 779 . 3 1 1 A 67 67 TRP N N 67 119.568 120.968 -1.400 1
1 781 . 3 1 1 A 68 68 VAL H H 68 7.815 8.582 -0.767 1
1 782 . 3 1 1 A 68 68 VAL HA H 68 3.917 4.602 -0.685 1
1 790 . 3 1 1 A 68 68 VAL C C 68 175.368 175.313 0.055 1
1 791 . 3 1 1 A 68 68 VAL CA C 68 62.189 60.452 1.737 1
1 792 . 3 1 1 A 68 68 VAL CB C 68 32.981 35.482 -2.501 1
1 795 . 3 1 1 A 68 68 VAL N N 68 122.485 123.569 -1.084 1
1 796 . 3 1 1 A 69 69 ARG H H 69 8.084 8.674 -0.590 1
1 797 . 3 1 1 A 69 69 ARG HA H 69 4.107 4.345 -0.238 1
1 804 . 3 1 1 A 69 69 ARG C C 69 175.465 176.555 -1.090 1
1 805 . 3 1 1 A 69 69 ARG CA C 69 55.841 55.561 0.280 1
1 806 . 3 1 1 A 69 69 ARG CB C 69 30.949 31.123 -0.174 1
1 809 . 3 1 1 A 69 69 ARG N N 69 124.540 125.798 -1.258 1
1 810 . 3 1 1 A 70 70 ASP H H 70 8.365 8.993 -0.628 1
1 811 . 3 1 1 A 70 70 ASP HA H 70 4.780 4.242 0.538 1
1 814 . 3 1 1 A 70 70 ASP C C 70 175.319 174.945 0.374 1
1 815 . 3 1 1 A 70 70 ASP CA C 70 51.882 54.852 -2.970 1
1 816 . 3 1 1 A 70 70 ASP CB C 70 41.312 39.438 1.874 1
1 817 . 3 1 1 A 70 70 ASP N N 70 123.498 122.220 1.278 1
1 818 . 3 1 1 A 71 71 PRO HA H 71 4.355 4.558 -0.203 1
1 825 . 3 1 1 A 71 71 PRO C C 71 177.091 175.333 1.758 1
1 826 . 3 1 1 A 71 71 PRO CA C 71 63.777 62.330 1.447 1
1 827 . 3 1 1 A 71 71 PRO CB C 71 32.118 33.203 -1.085 1
1 830 . 3 1 1 A 72 72 ASN H H 72 8.521 8.495 0.026 1
1 831 . 3 1 1 A 72 72 ASN HA H 72 4.764 5.070 -0.306 1
1 836 . 3 1 1 A 72 72 ASN C C 72 175.312 174.537 0.775 1
1 837 . 3 1 1 A 72 72 ASN CA C 72 53.471 52.465 1.006 1
1 838 . 3 1 1 A 72 72 ASN CB C 72 38.869 38.414 0.455 1
1 839 . 3 1 1 A 72 72 ASN N N 72 117.256 119.172 -1.916 1
1 841 . 3 1 1 A 73 73 SER H H 73 7.937 8.935 -0.998 1
1 842 . 3 1 1 A 73 73 SER HA H 73 4.429 5.149 -0.720 1
1 845 . 3 1 1 A 73 73 SER C C 73 174.532 173.938 0.594 1
1 846 . 3 1 1 A 73 73 SER CA C 73 58.642 57.139 1.503 1
1 847 . 3 1 1 A 73 73 SER CB C 73 64.137 65.824 -1.687 1
1 848 . 3 1 1 A 73 73 SER N N 73 115.503 122.870 -7.367 1
1 849 . 3 1 1 A 74 74 GLY H H 74 8.206 8.406 -0.200 1
1 850 . 3 1 1 A 74 74 GLY HA2 H 74 4.071 4.250 -0.179 1
1 851 . 3 1 1 A 74 74 GLY HA3 H 74 4.123 4.252 -0.129 1
1 852 . 3 1 1 A 74 74 GLY C C 74 171.781 172.004 -0.223 1
1 853 . 3 1 1 A 74 74 GLY CA C 74 44.682 45.786 -1.104 1
1 854 . 3 1 1 A 74 74 GLY N N 74 110.659 109.371 1.288 1
1 855 . 3 1 1 A 75 75 PRO HA H 75 4.446 4.610 -0.164 1
1 862 . 3 1 1 A 75 75 PRO C C 75 177.407 175.213 2.194 1
1 863 . 3 1 1 A 75 75 PRO CA C 75 63.212 62.308 0.904 1
1 864 . 3 1 1 A 75 75 PRO CB C 75 32.182 29.784 2.398 1
1 867 . 3 1 1 A 76 76 SER H H 76 8.504 8.250 0.254 1
1 868 . 3 1 1 A 76 76 SER HA H 76 4.489 4.908 -0.419 1
1 871 . 3 1 1 A 76 76 SER C C 76 174.677 173.126 1.551 1
1 872 . 3 1 1 A 76 76 SER CA C 76 58.359 56.956 1.403 1
1 873 . 3 1 1 A 76 76 SER CB C 76 64.013 64.405 -0.392 1
1 874 . 3 1 1 A 76 76 SER N N 76 116.388 119.001 -2.613 1
1 875 . 3 1 1 A 77 77 SER H H 77 8.312 8.797 -0.485 1
1 876 . 3 1 1 A 77 77 SER C C 77 173.914 174.934 -1.020 1
1 877 . 3 1 1 A 77 77 SER CA C 77 58.342 57.029 1.313 1
1 878 . 3 1 1 A 77 77 SER CB C 77 64.013 64.272 -0.259 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.892 4.163 -0.271 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.892 4.166 -0.274 1
1 3 . 4 1 1 A 7 7 GLY C C 7 173.405 171.879 1.526 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.070 45.817 -0.747 1
1 5 . 4 1 1 A 8 8 LYS H H 8 7.913 8.366 -0.453 1
1 6 . 4 1 1 A 8 8 LYS HA H 8 4.031 4.322 -0.291 1
1 15 . 4 1 1 A 8 8 LYS C C 8 175.501 176.136 -0.635 1
1 16 . 4 1 1 A 8 8 LYS CA C 8 55.765 56.003 -0.238 1
1 17 . 4 1 1 A 8 8 LYS CB C 8 33.046 32.473 0.573 1
1 21 . 4 1 1 A 8 8 LYS N N 8 121.849 122.416 -0.567 1
1 22 . 4 1 1 A 9 9 VAL H H 9 8.175 8.244 -0.069 1
1 23 . 4 1 1 A 9 9 VAL HA H 9 4.082 4.342 -0.260 1
1 31 . 4 1 1 A 9 9 VAL C C 9 175.680 174.139 1.541 1
1 32 . 4 1 1 A 9 9 VAL CA C 9 61.571 61.824 -0.253 1
1 33 . 4 1 1 A 9 9 VAL CB C 9 32.224 32.413 -0.189 1
1 36 . 4 1 1 A 9 9 VAL N N 9 125.536 126.358 -0.822 1
1 37 . 4 1 1 A 10 10 TRP H H 10 8.125 9.112 -0.987 1
1 38 . 4 1 1 A 10 10 TRP HA H 10 4.667 5.438 -0.771 1
1 47 . 4 1 1 A 10 10 TRP C C 10 174.859 175.644 -0.785 1
1 48 . 4 1 1 A 10 10 TRP CA C 10 57.088 55.979 1.109 1
1 49 . 4 1 1 A 10 10 TRP CB C 10 31.730 32.907 -1.177 1
1 55 . 4 1 1 A 10 10 TRP N N 10 127.817 129.851 -2.034 1
1 57 . 4 1 1 A 11 11 LYS H H 11 9.090 8.972 0.118 1
1 58 . 4 1 1 A 11 11 LYS HA H 11 4.856 4.886 -0.030 1
1 67 . 4 1 1 A 11 11 LYS C C 11 172.968 174.035 -1.067 1
1 68 . 4 1 1 A 11 11 LYS CA C 11 53.330 53.217 0.113 1
1 69 . 4 1 1 A 11 11 LYS CB C 11 33.827 36.064 -2.237 1
1 73 . 4 1 1 A 11 11 LYS N N 11 120.688 119.974 0.714 1
1 74 . 4 1 1 A 12 12 PRO HA H 12 3.894 4.510 -0.616 1
1 81 . 4 1 1 A 12 12 PRO C C 12 177.287 177.611 -0.324 1
1 82 . 4 1 1 A 12 12 PRO CA C 12 63.812 63.724 0.088 1
1 83 . 4 1 1 A 12 12 PRO CB C 12 31.278 31.259 0.019 1
1 86 . 4 1 1 A 13 13 GLY H H 13 9.494 8.714 0.780 1
1 87 . 4 1 1 A 13 13 GLY HA2 H 13 4.431 4.034 0.397 1
1 88 . 4 1 1 A 13 13 GLY HA3 H 13 3.746 4.036 -0.290 1
1 89 . 4 1 1 A 13 13 GLY C C 13 174.798 173.564 1.234 1
1 90 . 4 1 1 A 13 13 GLY CA C 13 44.559 45.288 -0.729 1
1 91 . 4 1 1 A 13 13 GLY N N 13 114.764 112.732 2.032 1
1 92 . 4 1 1 A 14 14 ASP H H 14 8.005 7.977 0.028 1
1 93 . 4 1 1 A 14 14 ASP HA H 14 4.665 5.056 -0.391 1
1 96 . 4 1 1 A 14 14 ASP C C 14 176.143 174.992 1.151 1
1 97 . 4 1 1 A 14 14 ASP CA C 14 55.553 53.066 2.487 1
1 98 . 4 1 1 A 14 14 ASP CB C 14 41.600 44.274 -2.674 1
1 99 . 4 1 1 A 14 14 ASP N N 14 121.257 119.536 1.721 1
1 100 . 4 1 1 A 15 15 GLU H H 15 8.645 8.754 -0.109 1
1 101 . 4 1 1 A 15 15 GLU HA H 15 4.852 4.801 0.051 1
1 106 . 4 1 1 A 15 15 GLU C C 15 175.679 176.552 -0.873 1
1 107 . 4 1 1 A 15 15 GLU CA C 15 55.783 56.985 -1.202 1
1 108 . 4 1 1 A 15 15 GLU CB C 15 31.295 29.923 1.372 1
1 110 . 4 1 1 A 15 15 GLU N N 15 121.409 122.643 -1.234 1
1 111 . 4 1 1 A 16 16 CYS H H 16 8.735 9.100 -0.365 1
1 112 . 4 1 1 A 16 16 CYS HA H 16 5.086 5.161 -0.075 1
1 115 . 4 1 1 A 16 16 CYS C C 16 172.636 172.900 -0.264 1
1 116 . 4 1 1 A 16 16 CYS CA C 16 56.418 56.470 -0.052 1
1 117 . 4 1 1 A 16 16 CYS CB C 16 32.553 31.529 1.024 1
1 118 . 4 1 1 A 16 16 CYS N N 16 116.207 121.008 -4.801 1
1 119 . 4 1 1 A 17 17 PHE H H 17 9.125 9.238 -0.113 1
1 120 . 4 1 1 A 17 17 PHE HA H 17 5.235 5.674 -0.439 1
1 128 . 4 1 1 A 17 17 PHE C C 17 174.823 175.191 -0.368 1
1 129 . 4 1 1 A 17 17 PHE CA C 17 57.547 56.975 0.572 1
1 130 . 4 1 1 A 17 17 PHE CB C 17 42.053 40.819 1.234 1
1 136 . 4 1 1 A 17 17 PHE N N 17 116.836 119.402 -2.566 1
1 137 . 4 1 1 A 18 18 ALA H H 18 9.373 9.354 0.019 1
1 138 . 4 1 1 A 18 18 ALA HA H 18 5.552 5.417 0.135 1
1 142 . 4 1 1 A 18 18 ALA C C 18 175.841 176.026 -0.185 1
1 143 . 4 1 1 A 18 18 ALA CA C 18 50.147 50.017 0.130 1
1 144 . 4 1 1 A 18 18 ALA CB C 18 23.798 21.956 1.842 1
1 145 . 4 1 1 A 18 18 ALA N N 18 122.751 126.718 -3.967 1
1 146 . 4 1 1 A 19 19 LEU H H 19 7.487 8.757 -1.270 1
1 147 . 4 1 1 A 19 19 LEU HA H 19 3.514 4.905 -1.391 1
1 157 . 4 1 1 A 19 19 LEU C C 19 175.598 176.392 -0.794 1
1 158 . 4 1 1 A 19 19 LEU CA C 19 55.165 54.034 1.131 1
1 159 . 4 1 1 A 19 19 LEU CB C 19 43.656 42.630 1.026 1
1 163 . 4 1 1 A 19 19 LEU N N 19 123.529 125.022 -1.493 1
1 164 . 4 1 1 A 20 20 TYR H H 20 9.405 8.479 0.926 1
1 165 . 4 1 1 A 20 20 TYR HA H 20 4.939 4.444 0.495 1
1 172 . 4 1 1 A 20 20 TYR C C 20 176.593 176.935 -0.342 1
1 173 . 4 1 1 A 20 20 TYR CA C 20 55.201 59.083 -3.882 1
1 174 . 4 1 1 A 20 20 TYR CB C 20 37.899 38.908 -1.009 1
1 179 . 4 1 1 A 20 20 TYR N N 20 132.207 127.032 5.175 1
1 180 . 4 1 1 A 21 21 TRP H H 21 8.475 7.966 0.509 1
1 181 . 4 1 1 A 21 21 TRP HA H 21 4.087 4.577 -0.490 1
1 190 . 4 1 1 A 21 21 TRP C C 21 177.283 176.456 0.827 1
1 191 . 4 1 1 A 21 21 TRP CA C 21 58.695 57.982 0.713 1
1 192 . 4 1 1 A 21 21 TRP CB C 21 28.111 29.553 -1.442 1
1 198 . 4 1 1 A 21 21 TRP N N 21 128.228 126.187 2.041 1
1 200 . 4 1 1 A 22 22 GLU H H 22 4.195 6.966 -2.771 1
1 201 . 4 1 1 A 22 22 GLU HA H 22 2.895 4.178 -1.283 1
1 206 . 4 1 1 A 22 22 GLU C C 22 176.342 176.096 0.246 1
1 207 . 4 1 1 A 22 22 GLU CA C 22 59.753 55.922 3.831 1
1 208 . 4 1 1 A 22 22 GLU CB C 22 29.468 30.391 -0.923 1
1 210 . 4 1 1 A 22 22 GLU N N 22 117.591 118.532 -0.941 1
1 211 . 4 1 1 A 23 23 ASP H H 23 6.695 7.873 -1.178 1
1 212 . 4 1 1 A 23 23 ASP HA H 23 4.554 4.876 -0.322 1
1 215 . 4 1 1 A 23 23 ASP C C 23 176.047 176.173 -0.126 1
1 216 . 4 1 1 A 23 23 ASP CA C 23 51.970 53.454 -1.484 1
1 217 . 4 1 1 A 23 23 ASP CB C 23 41.353 42.258 -0.905 1
1 218 . 4 1 1 A 23 23 ASP N N 23 112.180 119.879 -7.699 1
1 219 . 4 1 1 A 24 24 ASN H H 24 8.248 8.122 0.126 1
1 220 . 4 1 1 A 24 24 ASN HA H 24 4.055 4.557 -0.502 1
1 225 . 4 1 1 A 24 24 ASN C C 24 173.702 173.951 -0.249 1
1 226 . 4 1 1 A 24 24 ASN CA C 24 54.794 53.989 0.805 1
1 227 . 4 1 1 A 24 24 ASN CB C 24 37.940 36.132 1.808 1
1 228 . 4 1 1 A 24 24 ASN N N 24 116.693 118.583 -1.890 1
1 230 . 4 1 1 A 25 25 LYS H H 25 7.604 7.431 0.173 1
1 231 . 4 1 1 A 25 25 LYS HA H 25 4.502 4.522 -0.020 1
1 240 . 4 1 1 A 25 25 LYS C C 25 174.726 175.315 -0.589 1
1 241 . 4 1 1 A 25 25 LYS CA C 25 54.565 54.232 0.333 1
1 242 . 4 1 1 A 25 25 LYS CB C 25 35.143 34.162 0.981 1
1 246 . 4 1 1 A 25 25 LYS N N 25 116.646 118.704 -2.058 1
1 247 . 4 1 1 A 26 26 PHE H H 26 8.361 8.403 -0.042 1
1 248 . 4 1 1 A 26 26 PHE HA H 26 5.005 4.643 0.362 1
1 256 . 4 1 1 A 26 26 PHE C C 26 176.228 175.967 0.261 1
1 257 . 4 1 1 A 26 26 PHE CA C 26 58.236 58.612 -0.376 1
1 258 . 4 1 1 A 26 26 PHE CB C 26 41.148 39.123 2.025 1
1 264 . 4 1 1 A 26 26 PHE N N 26 118.446 121.001 -2.555 1
1 265 . 4 1 1 A 27 27 TYR H H 27 8.851 9.078 -0.227 1
1 266 . 4 1 1 A 27 27 TYR HA H 27 5.045 5.301 -0.256 1
1 273 . 4 1 1 A 27 27 TYR C C 27 175.380 175.198 0.182 1
1 274 . 4 1 1 A 27 27 TYR CA C 27 56.594 56.738 -0.144 1
1 275 . 4 1 1 A 27 27 TYR CB C 27 43.856 42.111 1.745 1
1 280 . 4 1 1 A 27 27 TYR N N 27 118.823 123.599 -4.776 1
1 281 . 4 1 1 A 28 28 ARG H H 28 9.026 8.560 0.466 1
1 282 . 4 1 1 A 28 28 ARG HA H 28 4.202 3.146 1.056 1
1 290 . 4 1 1 A 28 28 ARG C C 28 175.789 175.261 0.528 1
1 291 . 4 1 1 A 28 28 ARG CA C 28 57.142 56.507 0.635 1
1 292 . 4 1 1 A 28 28 ARG CB C 28 30.291 30.868 -0.577 1
1 295 . 4 1 1 A 28 28 ARG N N 28 122.262 123.579 -1.317 1
1 297 . 4 1 1 A 29 29 ALA H H 29 9.157 8.500 0.657 1
1 298 . 4 1 1 A 29 29 ALA HA H 29 5.098 4.870 0.228 1
1 302 . 4 1 1 A 29 29 ALA C C 29 175.247 175.224 0.023 1
1 303 . 4 1 1 A 29 29 ALA CA C 29 51.188 51.310 -0.122 1
1 304 . 4 1 1 A 29 29 ALA CB C 29 23.153 22.671 0.482 1
1 305 . 4 1 1 A 29 29 ALA N N 29 126.768 126.922 -0.154 1
1 306 . 4 1 1 A 30 30 GLU H H 30 8.167 8.556 -0.389 1
1 307 . 4 1 1 A 30 30 GLU HA H 30 5.085 4.868 0.217 1
1 312 . 4 1 1 A 30 30 GLU C C 30 176.265 175.074 1.191 1
1 313 . 4 1 1 A 30 30 GLU CA C 30 53.948 55.168 -1.220 1
1 314 . 4 1 1 A 30 30 GLU CB C 30 33.622 33.176 0.446 1
1 316 . 4 1 1 A 30 30 GLU N N 30 118.036 118.309 -0.273 1
1 317 . 4 1 1 A 31 31 VAL H H 31 8.961 8.750 0.211 1
1 318 . 4 1 1 A 31 31 VAL HA H 31 3.545 3.889 -0.344 1
1 326 . 4 1 1 A 31 31 VAL C C 31 175.369 176.091 -0.722 1
1 327 . 4 1 1 A 31 31 VAL CA C 31 64.571 63.251 1.320 1
1 328 . 4 1 1 A 31 31 VAL CB C 31 31.678 31.219 0.459 1
1 331 . 4 1 1 A 31 31 VAL N N 31 124.010 127.434 -3.424 1
1 332 . 4 1 1 A 32 32 GLU H H 32 9.483 9.223 0.260 1
1 333 . 4 1 1 A 32 32 GLU HA H 32 4.627 4.280 0.347 1
1 338 . 4 1 1 A 32 32 GLU C C 32 175.695 176.253 -0.558 1
1 339 . 4 1 1 A 32 32 GLU CA C 32 56.841 58.592 -1.751 1
1 340 . 4 1 1 A 32 32 GLU CB C 32 30.661 30.629 0.032 1
1 342 . 4 1 1 A 32 32 GLU N N 32 130.912 129.379 1.533 1
1 343 . 4 1 1 A 33 33 ALA H H 33 7.838 7.540 0.298 1
1 344 . 4 1 1 A 33 33 ALA HA H 33 4.456 4.705 -0.249 1
1 348 . 4 1 1 A 33 33 ALA C C 33 174.956 175.819 -0.863 1
1 349 . 4 1 1 A 33 33 ALA CA C 33 51.777 51.580 0.197 1
1 350 . 4 1 1 A 33 33 ALA CB C 33 22.189 22.869 -0.680 1
1 351 . 4 1 1 A 33 33 ALA N N 33 117.714 118.917 -1.203 1
1 352 . 4 1 1 A 34 34 LEU H H 34 8.954 8.750 0.204 1
1 353 . 4 1 1 A 34 34 LEU HA H 34 4.702 4.646 0.056 1
1 363 . 4 1 1 A 34 34 LEU C C 34 176.325 176.707 -0.382 1
1 364 . 4 1 1 A 34 34 LEU CA C 34 53.559 54.139 -0.580 1
1 365 . 4 1 1 A 34 34 LEU CB C 34 42.381 42.568 -0.187 1
1 369 . 4 1 1 A 34 34 LEU N N 34 122.418 122.247 0.171 1
1 370 . 4 1 1 A 35 35 HIS H H 35 8.022 8.249 -0.227 1
1 371 . 4 1 1 A 35 35 HIS HA H 35 4.544 4.781 -0.237 1
1 376 . 4 1 1 A 35 35 HIS C C 35 178.300 176.415 1.885 1
1 377 . 4 1 1 A 35 35 HIS CA C 35 57.706 56.277 1.429 1
1 378 . 4 1 1 A 35 35 HIS CB C 35 32.594 31.242 1.352 1
1 381 . 4 1 1 A 35 35 HIS N N 35 123.729 121.919 1.810 1
1 382 . 4 1 1 A 37 37 SER H H 37 10.111 7.192 2.919 1
1 383 . 4 1 1 A 37 37 SER HA H 37 4.339 4.274 0.065 1
1 386 . 4 1 1 A 37 37 SER C C 37 176.434 174.638 1.796 1
1 387 . 4 1 1 A 37 37 SER CA C 37 59.895 60.301 -0.406 1
1 388 . 4 1 1 A 37 37 SER CB C 37 63.665 63.594 0.071 1
1 389 . 4 1 1 A 37 37 SER N N 37 119.788 115.303 4.485 1
1 390 . 4 1 1 A 38 38 GLY H H 38 8.136 7.978 0.158 1
1 391 . 4 1 1 A 38 38 GLY HA2 H 38 4.257 4.094 0.163 1
1 392 . 4 1 1 A 38 38 GLY HA3 H 38 3.981 4.119 -0.138 1
1 393 . 4 1 1 A 38 38 GLY C C 38 174.441 174.610 -0.169 1
1 394 . 4 1 1 A 38 38 GLY CA C 38 46.006 45.397 0.609 1
1 395 . 4 1 1 A 38 38 GLY N N 38 108.557 107.746 0.811 1
1 396 . 4 1 1 A 39 39 MET H H 39 8.180 8.103 0.077 1
1 397 . 4 1 1 A 39 39 MET HA H 39 4.789 4.702 0.087 1
1 405 . 4 1 1 A 39 39 MET C C 39 177.404 176.122 1.282 1
1 406 . 4 1 1 A 39 39 MET CA C 39 55.889 56.416 -0.527 1
1 407 . 4 1 1 A 39 39 MET CB C 39 34.033 35.405 -1.372 1
1 410 . 4 1 1 A 39 39 MET N N 39 113.829 116.351 -2.522 1
1 411 . 4 1 1 A 40 40 THR H H 40 7.174 8.098 -0.924 1
1 412 . 4 1 1 A 40 40 THR HA H 40 5.182 4.972 0.210 1
1 417 . 4 1 1 A 40 40 THR C C 40 172.981 173.688 -0.707 1
1 418 . 4 1 1 A 40 40 THR CA C 40 59.559 60.043 -0.484 1
1 419 . 4 1 1 A 40 40 THR CB C 40 73.120 71.788 1.332 1
1 421 . 4 1 1 A 40 40 THR N N 40 108.160 109.902 -1.742 1
1 422 . 4 1 1 A 41 41 ALA H H 41 9.245 8.470 0.775 1
1 423 . 4 1 1 A 41 41 ALA HA H 41 4.932 4.851 0.081 1
1 427 . 4 1 1 A 41 41 ALA C C 41 175.635 176.146 -0.511 1
1 428 . 4 1 1 A 41 41 ALA CA C 41 50.417 51.641 -1.224 1
1 429 . 4 1 1 A 41 41 ALA CB C 41 22.600 23.063 -0.463 1
1 430 . 4 1 1 A 41 41 ALA N N 41 122.138 121.963 0.175 1
1 431 . 4 1 1 A 42 42 VAL H H 42 8.773 8.976 -0.203 1
1 432 . 4 1 1 A 42 42 VAL HA H 42 4.789 4.266 0.523 1
1 440 . 4 1 1 A 42 42 VAL C C 42 176.410 175.588 0.822 1
1 441 . 4 1 1 A 42 42 VAL CA C 42 62.083 62.642 -0.559 1
1 442 . 4 1 1 A 42 42 VAL CB C 42 32.776 31.333 1.443 1
1 445 . 4 1 1 A 42 42 VAL N N 42 120.320 120.845 -0.525 1
1 446 . 4 1 1 A 43 43 VAL H H 43 9.224 8.655 0.569 1
1 447 . 4 1 1 A 43 43 VAL HA H 43 5.013 4.882 0.131 1
1 455 . 4 1 1 A 43 43 VAL C C 43 172.532 173.998 -1.466 1
1 456 . 4 1 1 A 43 43 VAL CA C 43 57.812 59.238 -1.426 1
1 457 . 4 1 1 A 43 43 VAL CB C 43 34.280 34.381 -0.101 1
1 460 . 4 1 1 A 43 43 VAL N N 43 121.151 122.454 -1.303 1
1 461 . 4 1 1 A 44 44 LYS H H 44 8.645 8.602 0.043 1
1 462 . 4 1 1 A 44 44 LYS HA H 44 4.627 4.839 -0.212 1
1 471 . 4 1 1 A 44 44 LYS C C 44 177.419 175.285 2.134 1
1 472 . 4 1 1 A 44 44 LYS CA C 44 53.612 54.747 -1.135 1
1 473 . 4 1 1 A 44 44 LYS CB C 44 35.143 34.515 0.628 1
1 477 . 4 1 1 A 44 44 LYS N N 44 121.425 124.160 -2.735 1
1 478 . 4 1 1 A 45 45 PHE H H 45 8.823 8.926 -0.103 1
1 479 . 4 1 1 A 45 45 PHE HA H 45 4.505 4.592 -0.087 1
1 487 . 4 1 1 A 45 45 PHE C C 45 177.585 176.562 1.023 1
1 488 . 4 1 1 A 45 45 PHE CA C 45 59.841 57.957 1.884 1
1 489 . 4 1 1 A 45 45 PHE CB C 45 38.598 39.486 -0.888 1
1 495 . 4 1 1 A 45 45 PHE N N 45 128.232 126.114 2.118 1
1 496 . 4 1 1 A 46 46 THR H H 46 8.281 8.909 -0.628 1
1 497 . 4 1 1 A 46 46 THR HA H 46 3.738 3.997 -0.259 1
1 502 . 4 1 1 A 46 46 THR C C 46 176.410 175.989 0.421 1
1 503 . 4 1 1 A 46 46 THR CA C 46 65.930 65.561 0.369 1
1 504 . 4 1 1 A 46 46 THR CB C 46 68.743 68.824 -0.081 1
1 506 . 4 1 1 A 46 46 THR N N 46 120.729 120.586 0.143 1
1 507 . 4 1 1 A 47 47 ASP H H 47 9.166 8.222 0.944 1
1 508 . 4 1 1 A 47 47 ASP HA H 47 4.300 3.948 0.352 1
1 511 . 4 1 1 A 47 47 ASP C C 47 176.844 177.084 -0.240 1
1 512 . 4 1 1 A 47 47 ASP CA C 47 57.283 57.258 0.025 1
1 513 . 4 1 1 A 47 47 ASP CB C 47 40.037 40.028 0.009 1
1 514 . 4 1 1 A 47 47 ASP N N 47 120.635 120.254 0.381 1
1 515 . 4 1 1 A 48 48 TYR H H 48 7.676 7.549 0.127 1
1 516 . 4 1 1 A 48 48 TYR HA H 48 4.605 4.646 -0.041 1
1 523 . 4 1 1 A 48 48 TYR C C 48 177.343 176.102 1.241 1
1 524 . 4 1 1 A 48 48 TYR CA C 48 57.777 58.133 -0.356 1
1 525 . 4 1 1 A 48 48 TYR CB C 48 39.914 40.685 -0.771 1
1 530 . 4 1 1 A 48 48 TYR N N 48 114.763 113.824 0.939 1
1 531 . 4 1 1 A 49 49 GLY H H 49 8.065 8.576 -0.511 1
1 532 . 4 1 1 A 49 49 GLY HA2 H 49 4.023 4.037 -0.014 1
1 533 . 4 1 1 A 49 49 GLY HA3 H 49 3.571 4.042 -0.471 1
1 534 . 4 1 1 A 49 49 GLY C C 49 172.707 174.131 -1.424 1
1 535 . 4 1 1 A 49 49 GLY CA C 49 46.165 45.465 0.700 1
1 536 . 4 1 1 A 49 49 GLY N N 49 107.679 108.186 -0.507 1
1 537 . 4 1 1 A 50 50 ASN H H 50 8.836 8.082 0.754 1
1 538 . 4 1 1 A 50 50 ASN HA H 50 4.777 5.148 -0.371 1
1 543 . 4 1 1 A 50 50 ASN C C 50 173.696 173.610 0.086 1
1 544 . 4 1 1 A 50 50 ASN CA C 50 52.747 51.401 1.346 1
1 545 . 4 1 1 A 50 50 ASN CB C 50 37.710 41.214 -3.504 1
1 546 . 4 1 1 A 50 50 ASN N N 50 114.795 116.256 -1.461 1
1 548 . 4 1 1 A 51 51 TYR H H 51 8.726 8.602 0.124 1
1 549 . 4 1 1 A 51 51 TYR HA H 51 5.696 5.043 0.653 1
1 556 . 4 1 1 A 51 51 TYR C C 51 176.871 175.838 1.033 1
1 557 . 4 1 1 A 51 51 TYR CA C 51 56.789 58.101 -1.312 1
1 558 . 4 1 1 A 51 51 TYR CB C 51 40.037 40.080 -0.043 1
1 563 . 4 1 1 A 51 51 TYR N N 51 120.703 121.570 -0.867 1
1 564 . 4 1 1 A 52 52 GLU H H 52 8.995 9.005 -0.010 1
1 565 . 4 1 1 A 52 52 GLU HA H 52 4.981 5.025 -0.044 1
1 570 . 4 1 1 A 52 52 GLU C C 52 174.629 175.202 -0.573 1
1 571 . 4 1 1 A 52 52 GLU CA C 52 54.070 55.436 -1.366 1
1 572 . 4 1 1 A 52 52 GLU CB C 52 34.814 33.969 0.845 1
1 574 . 4 1 1 A 52 52 GLU N N 52 118.929 121.710 -2.781 1
1 575 . 4 1 1 A 53 53 GLU H H 53 8.995 8.732 0.263 1
1 576 . 4 1 1 A 53 53 GLU HA H 53 5.175 4.568 0.607 1
1 581 . 4 1 1 A 53 53 GLU C C 53 176.301 175.406 0.895 1
1 582 . 4 1 1 A 53 53 GLU CA C 53 55.500 56.533 -1.033 1
1 583 . 4 1 1 A 53 53 GLU CB C 53 30.537 30.185 0.352 1
1 585 . 4 1 1 A 53 53 GLU N N 53 122.819 125.169 -2.350 1
1 586 . 4 1 1 A 54 54 VAL H H 54 9.375 8.286 1.089 1
1 587 . 4 1 1 A 54 54 VAL HA H 54 4.739 4.720 0.019 1
1 595 . 4 1 1 A 54 54 VAL C C 54 175.017 174.947 0.070 1
1 596 . 4 1 1 A 54 54 VAL CA C 54 59.647 60.556 -0.909 1
1 597 . 4 1 1 A 54 54 VAL CB C 54 36.171 35.842 0.329 1
1 600 . 4 1 1 A 54 54 VAL N N 54 125.177 126.842 -1.665 1
1 601 . 4 1 1 A 55 55 LEU H H 55 8.744 8.493 0.251 1
1 602 . 4 1 1 A 55 55 LEU HA H 55 4.500 4.415 0.085 1
1 612 . 4 1 1 A 55 55 LEU C C 55 179.440 178.437 1.003 1
1 613 . 4 1 1 A 55 55 LEU CA C 55 55.495 54.871 0.624 1
1 614 . 4 1 1 A 55 55 LEU CB C 55 42.628 42.121 0.507 1
1 618 . 4 1 1 A 55 55 LEU N N 55 123.920 125.598 -1.678 1
1 619 . 4 1 1 A 56 56 LEU H H 56 8.324 9.069 -0.745 1
1 620 . 4 1 1 A 56 56 LEU HA H 56 3.855 4.044 -0.189 1
1 630 . 4 1 1 A 56 56 LEU C C 56 178.810 178.710 0.100 1
1 631 . 4 1 1 A 56 56 LEU CA C 56 57.883 57.348 0.535 1
1 632 . 4 1 1 A 56 56 LEU CB C 56 41.330 41.668 -0.338 1
1 636 . 4 1 1 A 56 56 LEU N N 56 123.383 123.089 0.294 1
1 637 . 4 1 1 A 57 57 SER H H 57 7.886 8.298 -0.412 1
1 638 . 4 1 1 A 57 57 SER HA H 57 4.364 4.552 -0.188 1
1 641 . 4 1 1 A 57 57 SER C C 57 174.944 175.248 -0.304 1
1 642 . 4 1 1 A 57 57 SER CA C 57 59.859 60.338 -0.479 1
1 643 . 4 1 1 A 57 57 SER CB C 57 62.509 63.439 -0.930 1
1 644 . 4 1 1 A 57 57 SER N N 57 109.927 115.024 -5.097 1
1 645 . 4 1 1 A 58 58 ASN H H 58 8.085 7.974 0.111 1
1 646 . 4 1 1 A 58 58 ASN HA H 58 5.275 5.053 0.222 1
1 651 . 4 1 1 A 58 58 ASN C C 58 172.402 173.735 -1.333 1
1 652 . 4 1 1 A 58 58 ASN CA C 58 52.535 53.212 -0.677 1
1 653 . 4 1 1 A 58 58 ASN CB C 58 39.585 39.304 0.281 1
1 654 . 4 1 1 A 58 58 ASN N N 58 120.812 116.877 3.935 1
1 656 . 4 1 1 A 59 59 ILE H H 59 7.291 7.213 0.078 1
1 657 . 4 1 1 A 59 59 ILE HA H 59 5.125 5.182 -0.057 1
1 667 . 4 1 1 A 59 59 ILE C C 59 174.980 174.624 0.356 1
1 668 . 4 1 1 A 59 59 ILE CA C 59 60.659 59.886 0.773 1
1 669 . 4 1 1 A 59 59 ILE CB C 59 39.996 40.109 -0.113 1
1 673 . 4 1 1 A 59 59 ILE N N 59 115.444 121.398 -5.954 1
1 674 . 4 1 1 A 60 60 LYS H H 60 9.366 8.955 0.411 1
1 675 . 4 1 1 A 60 60 LYS HA H 60 5.300 4.925 0.375 1
1 684 . 4 1 1 A 60 60 LYS C C 60 173.381 174.378 -0.997 1
1 685 . 4 1 1 A 60 60 LYS CA C 60 52.977 52.750 0.227 1
1 686 . 4 1 1 A 60 60 LYS CB C 60 34.814 34.050 0.764 1
1 690 . 4 1 1 A 60 60 LYS N N 60 122.819 127.208 -4.389 1
1 691 . 4 1 1 A 61 61 PRO HA H 61 5.027 4.984 0.043 1
1 698 . 4 1 1 A 61 61 PRO C C 61 176.256 175.824 0.432 1
1 699 . 4 1 1 A 61 61 PRO CA C 61 62.754 62.837 -0.083 1
1 700 . 4 1 1 A 61 61 PRO CB C 61 32.594 32.628 -0.034 1
1 703 . 4 1 1 A 62 62 VAL H H 62 8.525 8.242 0.283 1
1 704 . 4 1 1 A 62 62 VAL HA H 62 3.969 4.677 -0.708 1
1 712 . 4 1 1 A 62 62 VAL C C 62 176.192 174.893 1.299 1
1 713 . 4 1 1 A 62 62 VAL CA C 62 62.895 61.239 1.656 1
1 714 . 4 1 1 A 62 62 VAL CB C 62 32.059 33.566 -1.507 1
1 717 . 4 1 1 A 62 62 VAL N N 62 117.807 122.596 -4.789 1
1 718 . 4 1 1 A 63 63 GLN H H 63 7.815 8.827 -1.012 1
1 719 . 4 1 1 A 63 63 GLN HA H 63 4.415 4.833 -0.418 1
1 726 . 4 1 1 A 63 63 GLN C C 63 175.716 176.075 -0.359 1
1 727 . 4 1 1 A 63 63 GLN CA C 63 55.535 54.593 0.942 1
1 728 . 4 1 1 A 63 63 GLN CB C 63 29.468 29.971 -0.503 1
1 730 . 4 1 1 A 63 63 GLN N N 63 122.188 126.885 -4.697 1
1 732 . 4 1 1 A 64 64 THR H H 64 8.185 8.689 -0.504 1
1 733 . 4 1 1 A 64 64 THR HA H 64 4.154 3.970 0.184 1
1 738 . 4 1 1 A 64 64 THR C C 64 174.616 175.063 -0.447 1
1 739 . 4 1 1 A 64 64 THR CA C 64 62.277 66.337 -4.060 1
1 740 . 4 1 1 A 64 64 THR CB C 64 69.565 68.549 1.016 1
1 742 . 4 1 1 A 64 64 THR N N 64 116.169 121.579 -5.410 1
1 743 . 4 1 1 A 65 65 GLU H H 65 8.460 8.022 0.438 1
1 744 . 4 1 1 A 65 65 GLU HA H 65 4.174 4.790 -0.616 1
1 749 . 4 1 1 A 65 65 GLU C C 65 176.216 175.464 0.752 1
1 750 . 4 1 1 A 65 65 GLU CA C 65 56.647 55.496 1.151 1
1 751 . 4 1 1 A 65 65 GLU CB C 65 30.044 30.218 -0.174 1
1 753 . 4 1 1 A 65 65 GLU N N 65 123.014 117.216 5.798 1
1 754 . 4 1 1 A 66 66 ALA H H 66 8.245 9.021 -0.776 1
1 755 . 4 1 1 A 66 66 ALA HA H 66 4.205 4.538 -0.333 1
1 759 . 4 1 1 A 66 66 ALA C C 66 177.258 177.311 -0.053 1
1 760 . 4 1 1 A 66 66 ALA CA C 66 52.730 51.850 0.880 1
1 761 . 4 1 1 A 66 66 ALA CB C 66 19.064 18.670 0.394 1
1 762 . 4 1 1 A 66 66 ALA N N 66 124.251 127.913 -3.662 1
1 763 . 4 1 1 A 67 67 TRP H H 67 7.875 7.913 -0.038 1
1 764 . 4 1 1 A 67 67 TRP HA H 67 4.609 4.612 -0.003 1
1 772 . 4 1 1 A 67 67 TRP C C 67 175.889 176.023 -0.134 1
1 773 . 4 1 1 A 67 67 TRP CA C 67 57.106 57.823 -0.717 1
1 774 . 4 1 1 A 67 67 TRP CB C 67 29.427 28.677 0.750 1
1 779 . 4 1 1 A 67 67 TRP N N 67 119.568 121.147 -1.579 1
1 781 . 4 1 1 A 68 68 VAL H H 68 7.815 8.546 -0.731 1
1 782 . 4 1 1 A 68 68 VAL HA H 68 3.917 4.597 -0.680 1
1 790 . 4 1 1 A 68 68 VAL C C 68 175.368 175.671 -0.303 1
1 791 . 4 1 1 A 68 68 VAL CA C 68 62.189 60.921 1.268 1
1 792 . 4 1 1 A 68 68 VAL CB C 68 32.981 34.235 -1.254 1
1 795 . 4 1 1 A 68 68 VAL N N 68 122.485 124.525 -2.040 1
1 796 . 4 1 1 A 69 69 ARG H H 69 8.084 8.811 -0.727 1
1 797 . 4 1 1 A 69 69 ARG HA H 69 4.107 3.781 0.326 1
1 804 . 4 1 1 A 69 69 ARG C C 69 175.465 174.189 1.276 1
1 805 . 4 1 1 A 69 69 ARG CA C 69 55.841 57.044 -1.203 1
1 806 . 4 1 1 A 69 69 ARG CB C 69 30.949 27.964 2.985 1
1 809 . 4 1 1 A 69 69 ARG N N 69 124.540 123.360 1.180 1
1 810 . 4 1 1 A 70 70 ASP H H 70 8.365 8.010 0.355 1
1 811 . 4 1 1 A 70 70 ASP HA H 70 4.780 5.045 -0.265 1
1 814 . 4 1 1 A 70 70 ASP C C 70 175.319 174.445 0.874 1
1 815 . 4 1 1 A 70 70 ASP CA C 70 51.882 51.250 0.632 1
1 816 . 4 1 1 A 70 70 ASP CB C 70 41.312 41.193 0.119 1
1 817 . 4 1 1 A 70 70 ASP N N 70 123.498 118.942 4.556 1
1 818 . 4 1 1 A 71 71 PRO HA H 71 4.355 4.582 -0.227 1
1 825 . 4 1 1 A 71 71 PRO C C 71 177.091 175.376 1.715 1
1 826 . 4 1 1 A 71 71 PRO CA C 71 63.777 64.004 -0.227 1
1 827 . 4 1 1 A 71 71 PRO CB C 71 32.118 31.927 0.191 1
1 830 . 4 1 1 A 72 72 ASN H H 72 8.521 7.425 1.096 1
1 831 . 4 1 1 A 72 72 ASN HA H 72 4.764 5.132 -0.368 1
1 836 . 4 1 1 A 72 72 ASN C C 72 175.312 173.946 1.366 1
1 837 . 4 1 1 A 72 72 ASN CA C 72 53.471 51.733 1.738 1
1 838 . 4 1 1 A 72 72 ASN CB C 72 38.869 41.188 -2.319 1
1 839 . 4 1 1 A 72 72 ASN N N 72 117.256 112.305 4.951 1
1 841 . 4 1 1 A 73 73 SER H H 73 7.937 8.995 -1.058 1
1 842 . 4 1 1 A 73 73 SER HA H 73 4.429 4.759 -0.330 1
1 845 . 4 1 1 A 73 73 SER C C 73 174.532 173.534 0.998 1
1 846 . 4 1 1 A 73 73 SER CA C 73 58.642 57.683 0.959 1
1 847 . 4 1 1 A 73 73 SER CB C 73 64.137 62.937 1.200 1
1 848 . 4 1 1 A 73 73 SER N N 73 115.503 118.197 -2.694 1
1 849 . 4 1 1 A 74 74 GLY H H 74 8.206 7.666 0.540 1
1 850 . 4 1 1 A 74 74 GLY HA2 H 74 4.071 4.130 -0.059 1
1 851 . 4 1 1 A 74 74 GLY HA3 H 74 4.123 4.141 -0.018 1
1 852 . 4 1 1 A 74 74 GLY C C 74 171.781 172.079 -0.298 1
1 853 . 4 1 1 A 74 74 GLY CA C 74 44.682 45.527 -0.845 1
1 854 . 4 1 1 A 74 74 GLY N N 74 110.659 111.939 -1.280 1
1 855 . 4 1 1 A 75 75 PRO HA H 75 4.446 4.731 -0.285 1
1 862 . 4 1 1 A 75 75 PRO C C 75 177.407 176.347 1.060 1
1 863 . 4 1 1 A 75 75 PRO CA C 75 63.212 62.705 0.507 1
1 864 . 4 1 1 A 75 75 PRO CB C 75 32.182 33.672 -1.490 1
1 867 . 4 1 1 A 76 76 SER H H 76 8.504 8.811 -0.307 1
1 868 . 4 1 1 A 76 76 SER HA H 76 4.489 4.633 -0.144 1
1 871 . 4 1 1 A 76 76 SER C C 76 174.677 173.633 1.044 1
1 872 . 4 1 1 A 76 76 SER CA C 76 58.359 59.200 -0.841 1
1 873 . 4 1 1 A 76 76 SER CB C 76 64.013 65.326 -1.313 1
1 874 . 4 1 1 A 76 76 SER N N 76 116.388 115.779 0.609 1
1 875 . 4 1 1 A 77 77 SER H H 77 8.312 8.215 0.097 1
1 876 . 4 1 1 A 77 77 SER C C 77 173.914 174.441 -0.527 1
1 877 . 4 1 1 A 77 77 SER CA C 77 58.342 57.962 0.380 1
1 878 . 4 1 1 A 77 77 SER CB C 77 64.013 62.707 1.306 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.892 3.858 0.034 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.892 3.871 0.021 1
1 3 . 5 1 1 A 7 7 GLY C C 7 173.405 173.974 -0.569 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.070 46.289 -1.219 1
1 5 . 5 1 1 A 8 8 LYS H H 8 7.913 7.806 0.107 1
1 6 . 5 1 1 A 8 8 LYS HA H 8 4.031 4.104 -0.073 1
1 15 . 5 1 1 A 8 8 LYS C C 8 175.501 175.218 0.283 1
1 16 . 5 1 1 A 8 8 LYS CA C 8 55.765 56.183 -0.418 1
1 17 . 5 1 1 A 8 8 LYS CB C 8 33.046 32.633 0.413 1
1 21 . 5 1 1 A 8 8 LYS N N 8 121.849 123.201 -1.352 1
1 22 . 5 1 1 A 9 9 VAL H H 9 8.175 8.243 -0.068 1
1 23 . 5 1 1 A 9 9 VAL HA H 9 4.082 4.716 -0.634 1
1 31 . 5 1 1 A 9 9 VAL C C 9 175.680 173.634 2.046 1
1 32 . 5 1 1 A 9 9 VAL CA C 9 61.571 59.739 1.832 1
1 33 . 5 1 1 A 9 9 VAL CB C 9 32.224 34.220 -1.996 1
1 36 . 5 1 1 A 9 9 VAL N N 9 125.536 119.428 6.108 1
1 37 . 5 1 1 A 10 10 TRP H H 10 8.125 8.942 -0.817 1
1 38 . 5 1 1 A 10 10 TRP HA H 10 4.667 5.238 -0.571 1
1 47 . 5 1 1 A 10 10 TRP C C 10 174.859 175.939 -1.080 1
1 48 . 5 1 1 A 10 10 TRP CA C 10 57.088 56.694 0.394 1
1 49 . 5 1 1 A 10 10 TRP CB C 10 31.730 31.888 -0.158 1
1 55 . 5 1 1 A 10 10 TRP N N 10 127.817 128.470 -0.653 1
1 57 . 5 1 1 A 11 11 LYS H H 11 9.090 8.955 0.135 1
1 58 . 5 1 1 A 11 11 LYS HA H 11 4.856 4.943 -0.087 1
1 67 . 5 1 1 A 11 11 LYS C C 11 172.968 174.105 -1.137 1
1 68 . 5 1 1 A 11 11 LYS CA C 11 53.330 53.249 0.081 1
1 69 . 5 1 1 A 11 11 LYS CB C 11 33.827 35.324 -1.497 1
1 73 . 5 1 1 A 11 11 LYS N N 11 120.688 120.281 0.407 1
1 74 . 5 1 1 A 12 12 PRO HA H 12 3.894 4.510 -0.616 1
1 81 . 5 1 1 A 12 12 PRO C C 12 177.287 177.578 -0.291 1
1 82 . 5 1 1 A 12 12 PRO CA C 12 63.812 63.908 -0.096 1
1 83 . 5 1 1 A 12 12 PRO CB C 12 31.278 31.357 -0.079 1
1 86 . 5 1 1 A 13 13 GLY H H 13 9.494 8.727 0.767 1
1 87 . 5 1 1 A 13 13 GLY HA2 H 13 4.431 3.966 0.465 1
1 88 . 5 1 1 A 13 13 GLY HA3 H 13 3.746 3.969 -0.223 1
1 89 . 5 1 1 A 13 13 GLY C C 13 174.798 173.519 1.279 1
1 90 . 5 1 1 A 13 13 GLY CA C 13 44.559 45.406 -0.847 1
1 91 . 5 1 1 A 13 13 GLY N N 13 114.764 112.667 2.097 1
1 92 . 5 1 1 A 14 14 ASP H H 14 8.005 7.977 0.028 1
1 93 . 5 1 1 A 14 14 ASP HA H 14 4.665 4.928 -0.263 1
1 96 . 5 1 1 A 14 14 ASP C C 14 176.143 175.943 0.200 1
1 97 . 5 1 1 A 14 14 ASP CA C 14 55.553 53.253 2.300 1
1 98 . 5 1 1 A 14 14 ASP CB C 14 41.600 43.428 -1.828 1
1 99 . 5 1 1 A 14 14 ASP N N 14 121.257 120.607 0.650 1
1 100 . 5 1 1 A 15 15 GLU H H 15 8.645 8.721 -0.076 1
1 101 . 5 1 1 A 15 15 GLU HA H 15 4.852 4.172 0.680 1
1 106 . 5 1 1 A 15 15 GLU C C 15 175.679 176.247 -0.568 1
1 107 . 5 1 1 A 15 15 GLU CA C 15 55.783 56.664 -0.881 1
1 108 . 5 1 1 A 15 15 GLU CB C 15 31.295 29.929 1.366 1
1 110 . 5 1 1 A 15 15 GLU N N 15 121.409 125.043 -3.634 1
1 111 . 5 1 1 A 16 16 CYS H H 16 8.735 9.024 -0.289 1
1 112 . 5 1 1 A 16 16 CYS HA H 16 5.086 4.960 0.126 1
1 115 . 5 1 1 A 16 16 CYS C C 16 172.636 172.842 -0.206 1
1 116 . 5 1 1 A 16 16 CYS CA C 16 56.418 56.378 0.040 1
1 117 . 5 1 1 A 16 16 CYS CB C 16 32.553 31.184 1.369 1
1 118 . 5 1 1 A 16 16 CYS N N 16 116.207 119.863 -3.656 1
1 119 . 5 1 1 A 17 17 PHE H H 17 9.125 8.725 0.400 1
1 120 . 5 1 1 A 17 17 PHE HA H 17 5.235 5.427 -0.192 1
1 128 . 5 1 1 A 17 17 PHE C C 17 174.823 175.045 -0.222 1
1 129 . 5 1 1 A 17 17 PHE CA C 17 57.547 56.791 0.756 1
1 130 . 5 1 1 A 17 17 PHE CB C 17 42.053 40.351 1.702 1
1 136 . 5 1 1 A 17 17 PHE N N 17 116.836 119.477 -2.641 1
1 137 . 5 1 1 A 18 18 ALA H H 18 9.373 9.020 0.353 1
1 138 . 5 1 1 A 18 18 ALA HA H 18 5.552 5.435 0.117 1
1 142 . 5 1 1 A 18 18 ALA C C 18 175.841 175.711 0.130 1
1 143 . 5 1 1 A 18 18 ALA CA C 18 50.147 49.968 0.179 1
1 144 . 5 1 1 A 18 18 ALA CB C 18 23.798 22.034 1.764 1
1 145 . 5 1 1 A 18 18 ALA N N 18 122.751 127.548 -4.797 1
1 146 . 5 1 1 A 19 19 LEU H H 19 7.487 8.549 -1.062 1
1 147 . 5 1 1 A 19 19 LEU HA H 19 3.514 4.601 -1.087 1
1 157 . 5 1 1 A 19 19 LEU C C 19 175.598 176.670 -1.072 1
1 158 . 5 1 1 A 19 19 LEU CA C 19 55.165 54.614 0.551 1
1 159 . 5 1 1 A 19 19 LEU CB C 19 43.656 43.850 -0.194 1
1 163 . 5 1 1 A 19 19 LEU N N 19 123.529 124.881 -1.352 1
1 164 . 5 1 1 A 20 20 TYR H H 20 9.405 8.582 0.823 1
1 165 . 5 1 1 A 20 20 TYR HA H 20 4.939 4.873 0.066 1
1 172 . 5 1 1 A 20 20 TYR C C 20 176.593 177.068 -0.475 1
1 173 . 5 1 1 A 20 20 TYR CA C 20 55.201 58.945 -3.744 1
1 174 . 5 1 1 A 20 20 TYR CB C 20 37.899 39.564 -1.665 1
1 179 . 5 1 1 A 20 20 TYR N N 20 132.207 127.083 5.124 1
1 180 . 5 1 1 A 21 21 TRP H H 21 8.475 7.861 0.614 1
1 181 . 5 1 1 A 21 21 TRP HA H 21 4.087 4.653 -0.566 1
1 190 . 5 1 1 A 21 21 TRP C C 21 177.283 176.723 0.560 1
1 191 . 5 1 1 A 21 21 TRP CA C 21 58.695 57.077 1.618 1
1 192 . 5 1 1 A 21 21 TRP CB C 21 28.111 30.260 -2.149 1
1 198 . 5 1 1 A 21 21 TRP N N 21 128.228 125.374 2.854 1
1 200 . 5 1 1 A 22 22 GLU H H 22 4.195 7.200 -3.005 1
1 201 . 5 1 1 A 22 22 GLU HA H 22 2.895 4.160 -1.265 1
1 206 . 5 1 1 A 22 22 GLU C C 22 176.342 176.770 -0.428 1
1 207 . 5 1 1 A 22 22 GLU CA C 22 59.753 56.057 3.696 1
1 208 . 5 1 1 A 22 22 GLU CB C 22 29.468 30.600 -1.132 1
1 210 . 5 1 1 A 22 22 GLU N N 22 117.591 118.343 -0.752 1
1 211 . 5 1 1 A 23 23 ASP H H 23 6.695 7.811 -1.116 1
1 212 . 5 1 1 A 23 23 ASP HA H 23 4.554 4.792 -0.238 1
1 215 . 5 1 1 A 23 23 ASP C C 23 176.047 175.718 0.329 1
1 216 . 5 1 1 A 23 23 ASP CA C 23 51.970 53.884 -1.914 1
1 217 . 5 1 1 A 23 23 ASP CB C 23 41.353 43.223 -1.870 1
1 218 . 5 1 1 A 23 23 ASP N N 23 112.180 116.558 -4.378 1
1 219 . 5 1 1 A 24 24 ASN H H 24 8.248 8.011 0.237 1
1 220 . 5 1 1 A 24 24 ASN HA H 24 4.055 4.441 -0.386 1
1 225 . 5 1 1 A 24 24 ASN C C 24 173.702 173.670 0.032 1
1 226 . 5 1 1 A 24 24 ASN CA C 24 54.794 54.387 0.407 1
1 227 . 5 1 1 A 24 24 ASN CB C 24 37.940 36.769 1.171 1
1 228 . 5 1 1 A 24 24 ASN N N 24 116.693 115.211 1.482 1
1 230 . 5 1 1 A 25 25 LYS H H 25 7.604 7.541 0.063 1
1 231 . 5 1 1 A 25 25 LYS HA H 25 4.502 4.451 0.051 1
1 240 . 5 1 1 A 25 25 LYS C C 25 174.726 175.142 -0.416 1
1 241 . 5 1 1 A 25 25 LYS CA C 25 54.565 54.231 0.334 1
1 242 . 5 1 1 A 25 25 LYS CB C 25 35.143 34.541 0.602 1
1 246 . 5 1 1 A 25 25 LYS N N 25 116.646 117.327 -0.681 1
1 247 . 5 1 1 A 26 26 PHE H H 26 8.361 8.222 0.139 1
1 248 . 5 1 1 A 26 26 PHE HA H 26 5.005 4.491 0.514 1
1 256 . 5 1 1 A 26 26 PHE C C 26 176.228 175.744 0.484 1
1 257 . 5 1 1 A 26 26 PHE CA C 26 58.236 59.360 -1.124 1
1 258 . 5 1 1 A 26 26 PHE CB C 26 41.148 39.885 1.263 1
1 264 . 5 1 1 A 26 26 PHE N N 26 118.446 120.975 -2.529 1
1 265 . 5 1 1 A 27 27 TYR H H 27 8.851 8.978 -0.127 1
1 266 . 5 1 1 A 27 27 TYR HA H 27 5.045 5.161 -0.116 1
1 273 . 5 1 1 A 27 27 TYR C C 27 175.380 175.418 -0.038 1
1 274 . 5 1 1 A 27 27 TYR CA C 27 56.594 56.691 -0.097 1
1 275 . 5 1 1 A 27 27 TYR CB C 27 43.856 42.510 1.346 1
1 280 . 5 1 1 A 27 27 TYR N N 27 118.823 120.966 -2.143 1
1 281 . 5 1 1 A 28 28 ARG H H 28 9.026 8.968 0.058 1
1 282 . 5 1 1 A 28 28 ARG HA H 28 4.202 4.010 0.192 1
1 290 . 5 1 1 A 28 28 ARG C C 28 175.789 175.699 0.090 1
1 291 . 5 1 1 A 28 28 ARG CA C 28 57.142 57.288 -0.146 1
1 292 . 5 1 1 A 28 28 ARG CB C 28 30.291 31.195 -0.904 1
1 295 . 5 1 1 A 28 28 ARG N N 28 122.262 124.535 -2.273 1
1 297 . 5 1 1 A 29 29 ALA H H 29 9.157 8.383 0.774 1
1 298 . 5 1 1 A 29 29 ALA HA H 29 5.098 5.045 0.053 1
1 302 . 5 1 1 A 29 29 ALA C C 29 175.247 174.894 0.353 1
1 303 . 5 1 1 A 29 29 ALA CA C 29 51.188 51.263 -0.075 1
1 304 . 5 1 1 A 29 29 ALA CB C 29 23.153 23.096 0.057 1
1 305 . 5 1 1 A 29 29 ALA N N 29 126.768 127.201 -0.433 1
1 306 . 5 1 1 A 30 30 GLU H H 30 8.167 8.526 -0.359 1
1 307 . 5 1 1 A 30 30 GLU HA H 30 5.085 4.689 0.396 1
1 312 . 5 1 1 A 30 30 GLU C C 30 176.265 174.762 1.503 1
1 313 . 5 1 1 A 30 30 GLU CA C 30 53.948 55.201 -1.253 1
1 314 . 5 1 1 A 30 30 GLU CB C 30 33.622 33.695 -0.073 1
1 316 . 5 1 1 A 30 30 GLU N N 30 118.036 118.347 -0.311 1
1 317 . 5 1 1 A 31 31 VAL H H 31 8.961 8.786 0.175 1
1 318 . 5 1 1 A 31 31 VAL HA H 31 3.545 3.925 -0.380 1
1 326 . 5 1 1 A 31 31 VAL C C 31 175.369 176.163 -0.794 1
1 327 . 5 1 1 A 31 31 VAL CA C 31 64.571 63.340 1.231 1
1 328 . 5 1 1 A 31 31 VAL CB C 31 31.678 30.894 0.784 1
1 331 . 5 1 1 A 31 31 VAL N N 31 124.010 127.256 -3.246 1
1 332 . 5 1 1 A 32 32 GLU H H 32 9.483 9.171 0.312 1
1 333 . 5 1 1 A 32 32 GLU HA H 32 4.627 4.220 0.407 1
1 338 . 5 1 1 A 32 32 GLU C C 32 175.695 176.297 -0.602 1
1 339 . 5 1 1 A 32 32 GLU CA C 32 56.841 58.608 -1.767 1
1 340 . 5 1 1 A 32 32 GLU CB C 32 30.661 30.700 -0.039 1
1 342 . 5 1 1 A 32 32 GLU N N 32 130.912 129.600 1.312 1
1 343 . 5 1 1 A 33 33 ALA H H 33 7.838 7.270 0.568 1
1 344 . 5 1 1 A 33 33 ALA HA H 33 4.456 4.636 -0.180 1
1 348 . 5 1 1 A 33 33 ALA C C 33 174.956 175.723 -0.767 1
1 349 . 5 1 1 A 33 33 ALA CA C 33 51.777 51.733 0.044 1
1 350 . 5 1 1 A 33 33 ALA CB C 33 22.189 22.671 -0.482 1
1 351 . 5 1 1 A 33 33 ALA N N 33 117.714 118.529 -0.815 1
1 352 . 5 1 1 A 34 34 LEU H H 34 8.954 8.786 0.168 1
1 353 . 5 1 1 A 34 34 LEU HA H 34 4.702 4.446 0.256 1
1 363 . 5 1 1 A 34 34 LEU C C 34 176.325 176.916 -0.591 1
1 364 . 5 1 1 A 34 34 LEU CA C 34 53.559 54.610 -1.051 1
1 365 . 5 1 1 A 34 34 LEU CB C 34 42.381 42.460 -0.079 1
1 369 . 5 1 1 A 34 34 LEU N N 34 122.418 123.187 -0.769 1
1 370 . 5 1 1 A 35 35 HIS H H 35 8.022 8.213 -0.191 1
1 371 . 5 1 1 A 35 35 HIS HA H 35 4.544 4.839 -0.295 1
1 376 . 5 1 1 A 35 35 HIS C C 35 178.300 176.023 2.277 1
1 377 . 5 1 1 A 35 35 HIS CA C 35 57.706 56.145 1.561 1
1 378 . 5 1 1 A 35 35 HIS CB C 35 32.594 31.258 1.336 1
1 381 . 5 1 1 A 35 35 HIS N N 35 123.729 121.717 2.012 1
1 382 . 5 1 1 A 37 37 SER H H 37 10.111 7.671 2.440 1
1 383 . 5 1 1 A 37 37 SER HA H 37 4.339 4.287 0.052 1
1 386 . 5 1 1 A 37 37 SER C C 37 176.434 174.597 1.837 1
1 387 . 5 1 1 A 37 37 SER CA C 37 59.895 60.736 -0.841 1
1 388 . 5 1 1 A 37 37 SER CB C 37 63.665 63.937 -0.272 1
1 389 . 5 1 1 A 37 37 SER N N 37 119.788 114.442 5.346 1
1 390 . 5 1 1 A 38 38 GLY H H 38 8.136 7.932 0.204 1
1 391 . 5 1 1 A 38 38 GLY HA2 H 38 4.257 4.111 0.146 1
1 392 . 5 1 1 A 38 38 GLY HA3 H 38 3.981 4.134 -0.153 1
1 393 . 5 1 1 A 38 38 GLY C C 38 174.441 174.694 -0.253 1
1 394 . 5 1 1 A 38 38 GLY CA C 38 46.006 45.363 0.643 1
1 395 . 5 1 1 A 38 38 GLY N N 38 108.557 108.527 0.030 1
1 396 . 5 1 1 A 39 39 MET H H 39 8.180 8.204 -0.024 1
1 397 . 5 1 1 A 39 39 MET HA H 39 4.789 4.652 0.137 1
1 405 . 5 1 1 A 39 39 MET C C 39 177.404 176.117 1.287 1
1 406 . 5 1 1 A 39 39 MET CA C 39 55.889 56.602 -0.713 1
1 407 . 5 1 1 A 39 39 MET CB C 39 34.033 35.330 -1.297 1
1 410 . 5 1 1 A 39 39 MET N N 39 113.829 116.367 -2.538 1
1 411 . 5 1 1 A 40 40 THR H H 40 7.174 8.059 -0.885 1
1 412 . 5 1 1 A 40 40 THR HA H 40 5.182 4.964 0.218 1
1 417 . 5 1 1 A 40 40 THR C C 40 172.981 173.698 -0.717 1
1 418 . 5 1 1 A 40 40 THR CA C 40 59.559 60.162 -0.603 1
1 419 . 5 1 1 A 40 40 THR CB C 40 73.120 71.499 1.621 1
1 421 . 5 1 1 A 40 40 THR N N 40 108.160 109.579 -1.419 1
1 422 . 5 1 1 A 41 41 ALA H H 41 9.245 8.554 0.691 1
1 423 . 5 1 1 A 41 41 ALA HA H 41 4.932 4.881 0.051 1
1 427 . 5 1 1 A 41 41 ALA C C 41 175.635 176.053 -0.418 1
1 428 . 5 1 1 A 41 41 ALA CA C 41 50.417 51.375 -0.958 1
1 429 . 5 1 1 A 41 41 ALA CB C 41 22.600 23.426 -0.826 1
1 430 . 5 1 1 A 41 41 ALA N N 41 122.138 121.978 0.160 1
1 431 . 5 1 1 A 42 42 VAL H H 42 8.773 8.985 -0.212 1
1 432 . 5 1 1 A 42 42 VAL HA H 42 4.789 4.314 0.475 1
1 440 . 5 1 1 A 42 42 VAL C C 42 176.410 175.564 0.846 1
1 441 . 5 1 1 A 42 42 VAL CA C 42 62.083 62.349 -0.266 1
1 442 . 5 1 1 A 42 42 VAL CB C 42 32.776 31.314 1.462 1
1 445 . 5 1 1 A 42 42 VAL N N 42 120.320 119.746 0.574 1
1 446 . 5 1 1 A 43 43 VAL H H 43 9.224 8.610 0.614 1
1 447 . 5 1 1 A 43 43 VAL HA H 43 5.013 4.975 0.038 1
1 455 . 5 1 1 A 43 43 VAL C C 43 172.532 173.923 -1.391 1
1 456 . 5 1 1 A 43 43 VAL CA C 43 57.812 59.672 -1.860 1
1 457 . 5 1 1 A 43 43 VAL CB C 43 34.280 33.935 0.345 1
1 460 . 5 1 1 A 43 43 VAL N N 43 121.151 121.910 -0.759 1
1 461 . 5 1 1 A 44 44 LYS H H 44 8.645 8.610 0.035 1
1 462 . 5 1 1 A 44 44 LYS HA H 44 4.627 4.747 -0.120 1
1 471 . 5 1 1 A 44 44 LYS C C 44 177.419 175.293 2.126 1
1 472 . 5 1 1 A 44 44 LYS CA C 44 53.612 54.625 -1.013 1
1 473 . 5 1 1 A 44 44 LYS CB C 44 35.143 34.735 0.408 1
1 477 . 5 1 1 A 44 44 LYS N N 44 121.425 124.198 -2.773 1
1 478 . 5 1 1 A 45 45 PHE H H 45 8.823 8.811 0.012 1
1 479 . 5 1 1 A 45 45 PHE HA H 45 4.505 4.658 -0.153 1
1 487 . 5 1 1 A 45 45 PHE C C 45 177.585 176.519 1.066 1
1 488 . 5 1 1 A 45 45 PHE CA C 45 59.841 58.235 1.606 1
1 489 . 5 1 1 A 45 45 PHE CB C 45 38.598 39.556 -0.958 1
1 495 . 5 1 1 A 45 45 PHE N N 45 128.232 126.065 2.167 1
1 496 . 5 1 1 A 46 46 THR H H 46 8.281 8.612 -0.331 1
1 497 . 5 1 1 A 46 46 THR HA H 46 3.738 4.039 -0.301 1
1 502 . 5 1 1 A 46 46 THR C C 46 176.410 176.024 0.386 1
1 503 . 5 1 1 A 46 46 THR CA C 46 65.930 65.581 0.349 1
1 504 . 5 1 1 A 46 46 THR CB C 46 68.743 68.898 -0.155 1
1 506 . 5 1 1 A 46 46 THR N N 46 120.729 120.741 -0.012 1
1 507 . 5 1 1 A 47 47 ASP H H 47 9.166 8.502 0.664 1
1 508 . 5 1 1 A 47 47 ASP HA H 47 4.300 4.058 0.242 1
1 511 . 5 1 1 A 47 47 ASP C C 47 176.844 177.307 -0.463 1
1 512 . 5 1 1 A 47 47 ASP CA C 47 57.283 57.344 -0.061 1
1 513 . 5 1 1 A 47 47 ASP CB C 47 40.037 40.099 -0.062 1
1 514 . 5 1 1 A 47 47 ASP N N 47 120.635 120.613 0.022 1
1 515 . 5 1 1 A 48 48 TYR H H 48 7.676 7.636 0.040 1
1 516 . 5 1 1 A 48 48 TYR HA H 48 4.605 4.657 -0.052 1
1 523 . 5 1 1 A 48 48 TYR C C 48 177.343 176.139 1.204 1
1 524 . 5 1 1 A 48 48 TYR CA C 48 57.777 58.252 -0.475 1
1 525 . 5 1 1 A 48 48 TYR CB C 48 39.914 40.712 -0.798 1
1 530 . 5 1 1 A 48 48 TYR N N 48 114.763 113.956 0.807 1
1 531 . 5 1 1 A 49 49 GLY H H 49 8.065 8.150 -0.085 1
1 532 . 5 1 1 A 49 49 GLY HA2 H 49 4.023 4.033 -0.010 1
1 533 . 5 1 1 A 49 49 GLY HA3 H 49 3.571 4.036 -0.465 1
1 534 . 5 1 1 A 49 49 GLY C C 49 172.707 174.255 -1.548 1
1 535 . 5 1 1 A 49 49 GLY CA C 49 46.165 45.256 0.909 1
1 536 . 5 1 1 A 49 49 GLY N N 49 107.679 107.328 0.351 1
1 537 . 5 1 1 A 50 50 ASN H H 50 8.836 8.143 0.693 1
1 538 . 5 1 1 A 50 50 ASN HA H 50 4.777 5.063 -0.286 1
1 543 . 5 1 1 A 50 50 ASN C C 50 173.696 173.820 -0.124 1
1 544 . 5 1 1 A 50 50 ASN CA C 50 52.747 51.726 1.021 1
1 545 . 5 1 1 A 50 50 ASN CB C 50 37.710 40.648 -2.938 1
1 546 . 5 1 1 A 50 50 ASN N N 50 114.795 116.856 -2.061 1
1 548 . 5 1 1 A 51 51 TYR H H 51 8.726 8.564 0.162 1
1 549 . 5 1 1 A 51 51 TYR HA H 51 5.696 4.949 0.747 1
1 556 . 5 1 1 A 51 51 TYR C C 51 176.871 175.848 1.023 1
1 557 . 5 1 1 A 51 51 TYR CA C 51 56.789 58.318 -1.529 1
1 558 . 5 1 1 A 51 51 TYR CB C 51 40.037 39.894 0.143 1
1 563 . 5 1 1 A 51 51 TYR N N 51 120.703 122.193 -1.490 1
1 564 . 5 1 1 A 52 52 GLU H H 52 8.995 8.982 0.013 1
1 565 . 5 1 1 A 52 52 GLU HA H 52 4.981 5.012 -0.031 1
1 570 . 5 1 1 A 52 52 GLU C C 52 174.629 175.195 -0.566 1
1 571 . 5 1 1 A 52 52 GLU CA C 52 54.070 55.322 -1.252 1
1 572 . 5 1 1 A 52 52 GLU CB C 52 34.814 33.916 0.898 1
1 574 . 5 1 1 A 52 52 GLU N N 52 118.929 121.688 -2.759 1
1 575 . 5 1 1 A 53 53 GLU H H 53 8.995 8.644 0.351 1
1 576 . 5 1 1 A 53 53 GLU HA H 53 5.175 4.549 0.626 1
1 581 . 5 1 1 A 53 53 GLU C C 53 176.301 175.074 1.227 1
1 582 . 5 1 1 A 53 53 GLU CA C 53 55.500 55.803 -0.303 1
1 583 . 5 1 1 A 53 53 GLU CB C 53 30.537 29.477 1.060 1
1 585 . 5 1 1 A 53 53 GLU N N 53 122.819 124.630 -1.811 1
1 586 . 5 1 1 A 54 54 VAL H H 54 9.375 8.333 1.042 1
1 587 . 5 1 1 A 54 54 VAL HA H 54 4.739 4.698 0.041 1
1 595 . 5 1 1 A 54 54 VAL C C 54 175.017 175.294 -0.277 1
1 596 . 5 1 1 A 54 54 VAL CA C 54 59.647 60.840 -1.193 1
1 597 . 5 1 1 A 54 54 VAL CB C 54 36.171 35.063 1.108 1
1 600 . 5 1 1 A 54 54 VAL N N 54 125.177 126.444 -1.267 1
1 601 . 5 1 1 A 55 55 LEU H H 55 8.744 8.525 0.219 1
1 602 . 5 1 1 A 55 55 LEU HA H 55 4.500 4.458 0.042 1
1 612 . 5 1 1 A 55 55 LEU C C 55 179.440 178.589 0.851 1
1 613 . 5 1 1 A 55 55 LEU CA C 55 55.495 54.591 0.904 1
1 614 . 5 1 1 A 55 55 LEU CB C 55 42.628 42.282 0.346 1
1 618 . 5 1 1 A 55 55 LEU N N 55 123.920 126.261 -2.341 1
1 619 . 5 1 1 A 56 56 LEU H H 56 8.324 8.909 -0.585 1
1 620 . 5 1 1 A 56 56 LEU HA H 56 3.855 4.082 -0.227 1
1 630 . 5 1 1 A 56 56 LEU C C 56 178.810 178.632 0.178 1
1 631 . 5 1 1 A 56 56 LEU CA C 56 57.883 57.411 0.472 1
1 632 . 5 1 1 A 56 56 LEU CB C 56 41.330 41.581 -0.251 1
1 636 . 5 1 1 A 56 56 LEU N N 56 123.383 123.414 -0.031 1
1 637 . 5 1 1 A 57 57 SER H H 57 7.886 8.098 -0.212 1
1 638 . 5 1 1 A 57 57 SER HA H 57 4.364 4.482 -0.118 1
1 641 . 5 1 1 A 57 57 SER C C 57 174.944 175.124 -0.180 1
1 642 . 5 1 1 A 57 57 SER CA C 57 59.859 60.247 -0.388 1
1 643 . 5 1 1 A 57 57 SER CB C 57 62.509 63.292 -0.783 1
1 644 . 5 1 1 A 57 57 SER N N 57 109.927 113.378 -3.451 1
1 645 . 5 1 1 A 58 58 ASN H H 58 8.085 8.062 0.023 1
1 646 . 5 1 1 A 58 58 ASN HA H 58 5.275 5.047 0.228 1
1 651 . 5 1 1 A 58 58 ASN C C 58 172.402 174.052 -1.650 1
1 652 . 5 1 1 A 58 58 ASN CA C 58 52.535 53.167 -0.632 1
1 653 . 5 1 1 A 58 58 ASN CB C 58 39.585 39.192 0.393 1
1 654 . 5 1 1 A 58 58 ASN N N 58 120.812 118.456 2.356 1
1 656 . 5 1 1 A 59 59 ILE H H 59 7.291 7.227 0.064 1
1 657 . 5 1 1 A 59 59 ILE HA H 59 5.125 5.233 -0.108 1
1 667 . 5 1 1 A 59 59 ILE C C 59 174.980 175.091 -0.111 1
1 668 . 5 1 1 A 59 59 ILE CA C 59 60.659 59.502 1.157 1
1 669 . 5 1 1 A 59 59 ILE CB C 59 39.996 41.149 -1.153 1
1 673 . 5 1 1 A 59 59 ILE N N 59 115.444 121.194 -5.750 1
1 674 . 5 1 1 A 60 60 LYS H H 60 9.366 8.615 0.751 1
1 675 . 5 1 1 A 60 60 LYS HA H 60 5.300 5.079 0.221 1
1 684 . 5 1 1 A 60 60 LYS C C 60 173.381 174.420 -1.039 1
1 685 . 5 1 1 A 60 60 LYS CA C 60 52.977 53.024 -0.047 1
1 686 . 5 1 1 A 60 60 LYS CB C 60 34.814 34.761 0.053 1
1 690 . 5 1 1 A 60 60 LYS N N 60 122.819 124.827 -2.008 1
1 691 . 5 1 1 A 61 61 PRO HA H 61 5.027 5.104 -0.077 1
1 698 . 5 1 1 A 61 61 PRO C C 61 176.256 176.006 0.250 1
1 699 . 5 1 1 A 61 61 PRO CA C 61 62.754 62.995 -0.241 1
1 700 . 5 1 1 A 61 61 PRO CB C 61 32.594 31.903 0.691 1
1 703 . 5 1 1 A 62 62 VAL H H 62 8.525 8.536 -0.011 1
1 704 . 5 1 1 A 62 62 VAL HA H 62 3.969 4.649 -0.680 1
1 712 . 5 1 1 A 62 62 VAL C C 62 176.192 175.744 0.448 1
1 713 . 5 1 1 A 62 62 VAL CA C 62 62.895 60.293 2.602 1
1 714 . 5 1 1 A 62 62 VAL CB C 62 32.059 34.004 -1.945 1
1 717 . 5 1 1 A 62 62 VAL N N 62 117.807 122.459 -4.652 1
1 718 . 5 1 1 A 63 63 GLN H H 63 7.815 8.469 -0.654 1
1 719 . 5 1 1 A 63 63 GLN HA H 63 4.415 4.262 0.153 1
1 726 . 5 1 1 A 63 63 GLN C C 63 175.716 175.717 -0.001 1
1 727 . 5 1 1 A 63 63 GLN CA C 63 55.535 57.214 -1.679 1
1 728 . 5 1 1 A 63 63 GLN CB C 63 29.468 29.276 0.192 1
1 730 . 5 1 1 A 63 63 GLN N N 63 122.188 126.344 -4.156 1
1 732 . 5 1 1 A 64 64 THR H H 64 8.185 8.646 -0.461 1
1 733 . 5 1 1 A 64 64 THR HA H 64 4.154 4.786 -0.632 1
1 738 . 5 1 1 A 64 64 THR C C 64 174.616 174.273 0.343 1
1 739 . 5 1 1 A 64 64 THR CA C 64 62.277 60.351 1.926 1
1 740 . 5 1 1 A 64 64 THR CB C 64 69.565 71.390 -1.825 1
1 742 . 5 1 1 A 64 64 THR N N 64 116.169 116.670 -0.501 1
1 743 . 5 1 1 A 65 65 GLU H H 65 8.460 9.040 -0.580 1
1 744 . 5 1 1 A 65 65 GLU HA H 65 4.174 4.068 0.106 1
1 749 . 5 1 1 A 65 65 GLU C C 65 176.216 176.669 -0.453 1
1 750 . 5 1 1 A 65 65 GLU CA C 65 56.647 57.269 -0.622 1
1 751 . 5 1 1 A 65 65 GLU CB C 65 30.044 28.483 1.561 1
1 753 . 5 1 1 A 65 65 GLU N N 65 123.014 126.338 -3.324 1
1 754 . 5 1 1 A 66 66 ALA H H 66 8.245 8.077 0.168 1
1 755 . 5 1 1 A 66 66 ALA HA H 66 4.205 4.533 -0.328 1
1 759 . 5 1 1 A 66 66 ALA C C 66 177.258 176.984 0.274 1
1 760 . 5 1 1 A 66 66 ALA CA C 66 52.730 51.320 1.410 1
1 761 . 5 1 1 A 66 66 ALA CB C 66 19.064 18.679 0.385 1
1 762 . 5 1 1 A 66 66 ALA N N 66 124.251 120.902 3.349 1
1 763 . 5 1 1 A 67 67 TRP H H 67 7.875 7.764 0.111 1
1 764 . 5 1 1 A 67 67 TRP HA H 67 4.609 4.476 0.133 1
1 772 . 5 1 1 A 67 67 TRP C C 67 175.889 175.536 0.353 1
1 773 . 5 1 1 A 67 67 TRP CA C 67 57.106 57.454 -0.348 1
1 774 . 5 1 1 A 67 67 TRP CB C 67 29.427 29.471 -0.044 1
1 779 . 5 1 1 A 67 67 TRP N N 67 119.568 118.569 0.999 1
1 781 . 5 1 1 A 68 68 VAL H H 68 7.815 8.476 -0.661 1
1 782 . 5 1 1 A 68 68 VAL HA H 68 3.917 4.539 -0.622 1
1 790 . 5 1 1 A 68 68 VAL C C 68 175.368 173.683 1.685 1
1 791 . 5 1 1 A 68 68 VAL CA C 68 62.189 60.093 2.096 1
1 792 . 5 1 1 A 68 68 VAL CB C 68 32.981 35.788 -2.807 1
1 795 . 5 1 1 A 68 68 VAL N N 68 122.485 121.583 0.902 1
1 796 . 5 1 1 A 69 69 ARG H H 69 8.084 8.445 -0.361 1
1 797 . 5 1 1 A 69 69 ARG HA H 69 4.107 4.272 -0.165 1
1 804 . 5 1 1 A 69 69 ARG C C 69 175.465 174.470 0.995 1
1 805 . 5 1 1 A 69 69 ARG CA C 69 55.841 57.035 -1.194 1
1 806 . 5 1 1 A 69 69 ARG CB C 69 30.949 30.504 0.445 1
1 809 . 5 1 1 A 69 69 ARG N N 69 124.540 128.674 -4.134 1
1 810 . 5 1 1 A 70 70 ASP H H 70 8.365 8.583 -0.218 1
1 811 . 5 1 1 A 70 70 ASP HA H 70 4.780 5.082 -0.302 1
1 814 . 5 1 1 A 70 70 ASP C C 70 175.319 173.339 1.980 1
1 815 . 5 1 1 A 70 70 ASP CA C 70 51.882 51.189 0.693 1
1 816 . 5 1 1 A 70 70 ASP CB C 70 41.312 44.013 -2.701 1
1 817 . 5 1 1 A 70 70 ASP N N 70 123.498 126.600 -3.102 1
1 818 . 5 1 1 A 71 71 PRO HA H 71 4.355 4.610 -0.255 1
1 825 . 5 1 1 A 71 71 PRO C C 71 177.091 175.246 1.845 1
1 826 . 5 1 1 A 71 71 PRO CA C 71 63.777 62.586 1.191 1
1 827 . 5 1 1 A 71 71 PRO CB C 71 32.118 33.170 -1.052 1
1 830 . 5 1 1 A 72 72 ASN H H 72 8.521 8.865 -0.344 1
1 831 . 5 1 1 A 72 72 ASN HA H 72 4.764 5.189 -0.425 1
1 836 . 5 1 1 A 72 72 ASN C C 72 175.312 173.529 1.783 1
1 837 . 5 1 1 A 72 72 ASN CA C 72 53.471 52.787 0.684 1
1 838 . 5 1 1 A 72 72 ASN CB C 72 38.869 42.523 -3.654 1
1 839 . 5 1 1 A 72 72 ASN N N 72 117.256 119.518 -2.262 1
1 841 . 5 1 1 A 73 73 SER H H 73 7.937 8.623 -0.686 1
1 842 . 5 1 1 A 73 73 SER HA H 73 4.429 4.928 -0.499 1
1 845 . 5 1 1 A 73 73 SER C C 73 174.532 175.230 -0.698 1
1 846 . 5 1 1 A 73 73 SER CA C 73 58.642 57.124 1.518 1
1 847 . 5 1 1 A 73 73 SER CB C 73 64.137 64.770 -0.633 1
1 848 . 5 1 1 A 73 73 SER N N 73 115.503 117.656 -2.153 1
1 849 . 5 1 1 A 74 74 GLY H H 74 8.206 8.467 -0.261 1
1 850 . 5 1 1 A 74 74 GLY HA2 H 74 4.071 4.121 -0.050 1
1 851 . 5 1 1 A 74 74 GLY HA3 H 74 4.123 4.121 0.002 1
1 852 . 5 1 1 A 74 74 GLY C C 74 171.781 172.929 -1.148 1
1 853 . 5 1 1 A 74 74 GLY CA C 74 44.682 44.156 0.526 1
1 854 . 5 1 1 A 74 74 GLY N N 74 110.659 108.464 2.195 1
1 855 . 5 1 1 A 75 75 PRO HA H 75 4.446 4.523 -0.077 1
1 862 . 5 1 1 A 75 75 PRO C C 75 177.407 176.011 1.396 1
1 863 . 5 1 1 A 75 75 PRO CA C 75 63.212 62.727 0.485 1
1 864 . 5 1 1 A 75 75 PRO CB C 75 32.182 32.124 0.058 1
1 867 . 5 1 1 A 76 76 SER H H 76 8.504 8.489 0.015 1
1 868 . 5 1 1 A 76 76 SER HA H 76 4.489 4.747 -0.258 1
1 871 . 5 1 1 A 76 76 SER C C 76 174.677 174.165 0.512 1
1 872 . 5 1 1 A 76 76 SER CA C 76 58.359 57.936 0.423 1
1 873 . 5 1 1 A 76 76 SER CB C 76 64.013 62.410 1.603 1
1 874 . 5 1 1 A 76 76 SER N N 76 116.388 119.034 -2.646 1
1 875 . 5 1 1 A 77 77 SER H H 77 8.312 8.402 -0.090 1
1 876 . 5 1 1 A 77 77 SER C C 77 173.914 174.532 -0.618 1
1 877 . 5 1 1 A 77 77 SER CA C 77 58.342 58.733 -0.391 1
1 878 . 5 1 1 A 77 77 SER CB C 77 64.013 64.283 -0.270 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.892 4.078 -0.186 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.892 4.099 -0.207 1
1 3 . 6 1 1 A 7 7 GLY C C 7 173.405 172.043 1.362 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.070 45.294 -0.224 1
1 5 . 6 1 1 A 8 8 LYS H H 8 7.913 8.855 -0.942 1
1 6 . 6 1 1 A 8 8 LYS HA H 8 4.031 4.722 -0.691 1
1 15 . 6 1 1 A 8 8 LYS C C 8 175.501 175.371 0.130 1
1 16 . 6 1 1 A 8 8 LYS CA C 8 55.765 54.608 1.157 1
1 17 . 6 1 1 A 8 8 LYS CB C 8 33.046 34.296 -1.250 1
1 21 . 6 1 1 A 8 8 LYS N N 8 121.849 124.778 -2.929 1
1 22 . 6 1 1 A 9 9 VAL H H 9 8.175 8.416 -0.241 1
1 23 . 6 1 1 A 9 9 VAL HA H 9 4.082 4.133 -0.051 1
1 31 . 6 1 1 A 9 9 VAL C C 9 175.680 175.325 0.355 1
1 32 . 6 1 1 A 9 9 VAL CA C 9 61.571 62.822 -1.251 1
1 33 . 6 1 1 A 9 9 VAL CB C 9 32.224 31.450 0.774 1
1 36 . 6 1 1 A 9 9 VAL N N 9 125.536 126.316 -0.780 1
1 37 . 6 1 1 A 10 10 TRP H H 10 8.125 9.060 -0.935 1
1 38 . 6 1 1 A 10 10 TRP HA H 10 4.667 5.439 -0.772 1
1 47 . 6 1 1 A 10 10 TRP C C 10 174.859 175.338 -0.479 1
1 48 . 6 1 1 A 10 10 TRP CA C 10 57.088 55.754 1.334 1
1 49 . 6 1 1 A 10 10 TRP CB C 10 31.730 33.579 -1.849 1
1 55 . 6 1 1 A 10 10 TRP N N 10 127.817 129.270 -1.453 1
1 57 . 6 1 1 A 11 11 LYS H H 11 9.090 9.158 -0.068 1
1 58 . 6 1 1 A 11 11 LYS HA H 11 4.856 4.942 -0.086 1
1 67 . 6 1 1 A 11 11 LYS C C 11 172.968 173.351 -0.383 1
1 68 . 6 1 1 A 11 11 LYS CA C 11 53.330 54.851 -1.521 1
1 69 . 6 1 1 A 11 11 LYS CB C 11 33.827 35.118 -1.291 1
1 73 . 6 1 1 A 11 11 LYS N N 11 120.688 118.726 1.962 1
1 74 . 6 1 1 A 12 12 PRO HA H 12 3.894 4.693 -0.799 1
1 81 . 6 1 1 A 12 12 PRO C C 12 177.287 177.539 -0.252 1
1 82 . 6 1 1 A 12 12 PRO CA C 12 63.812 63.706 0.106 1
1 83 . 6 1 1 A 12 12 PRO CB C 12 31.278 31.220 0.058 1
1 86 . 6 1 1 A 13 13 GLY H H 13 9.494 8.713 0.781 1
1 87 . 6 1 1 A 13 13 GLY HA2 H 13 4.431 4.056 0.375 1
1 88 . 6 1 1 A 13 13 GLY HA3 H 13 3.746 4.060 -0.314 1
1 89 . 6 1 1 A 13 13 GLY C C 13 174.798 173.393 1.405 1
1 90 . 6 1 1 A 13 13 GLY CA C 13 44.559 45.124 -0.565 1
1 91 . 6 1 1 A 13 13 GLY N N 13 114.764 112.823 1.941 1
1 92 . 6 1 1 A 14 14 ASP H H 14 8.005 8.049 -0.044 1
1 93 . 6 1 1 A 14 14 ASP HA H 14 4.665 4.996 -0.331 1
1 96 . 6 1 1 A 14 14 ASP C C 14 176.143 175.566 0.577 1
1 97 . 6 1 1 A 14 14 ASP CA C 14 55.553 53.233 2.320 1
1 98 . 6 1 1 A 14 14 ASP CB C 14 41.600 43.580 -1.980 1
1 99 . 6 1 1 A 14 14 ASP N N 14 121.257 120.492 0.765 1
1 100 . 6 1 1 A 15 15 GLU H H 15 8.645 8.795 -0.150 1
1 101 . 6 1 1 A 15 15 GLU HA H 15 4.852 4.710 0.142 1
1 106 . 6 1 1 A 15 15 GLU C C 15 175.679 176.399 -0.720 1
1 107 . 6 1 1 A 15 15 GLU CA C 15 55.783 56.635 -0.852 1
1 108 . 6 1 1 A 15 15 GLU CB C 15 31.295 29.831 1.464 1
1 110 . 6 1 1 A 15 15 GLU N N 15 121.409 124.569 -3.160 1
1 111 . 6 1 1 A 16 16 CYS H H 16 8.735 9.034 -0.299 1
1 112 . 6 1 1 A 16 16 CYS HA H 16 5.086 5.221 -0.135 1
1 115 . 6 1 1 A 16 16 CYS C C 16 172.636 172.935 -0.299 1
1 116 . 6 1 1 A 16 16 CYS CA C 16 56.418 56.440 -0.022 1
1 117 . 6 1 1 A 16 16 CYS CB C 16 32.553 32.022 0.531 1
1 118 . 6 1 1 A 16 16 CYS N N 16 116.207 121.450 -5.243 1
1 119 . 6 1 1 A 17 17 PHE H H 17 9.125 9.255 -0.130 1
1 120 . 6 1 1 A 17 17 PHE HA H 17 5.235 5.635 -0.400 1
1 128 . 6 1 1 A 17 17 PHE C C 17 174.823 174.857 -0.034 1
1 129 . 6 1 1 A 17 17 PHE CA C 17 57.547 56.948 0.599 1
1 130 . 6 1 1 A 17 17 PHE CB C 17 42.053 40.766 1.287 1
1 136 . 6 1 1 A 17 17 PHE N N 17 116.836 119.138 -2.302 1
1 137 . 6 1 1 A 18 18 ALA H H 18 9.373 9.065 0.308 1
1 138 . 6 1 1 A 18 18 ALA HA H 18 5.552 5.390 0.162 1
1 142 . 6 1 1 A 18 18 ALA C C 18 175.841 176.015 -0.174 1
1 143 . 6 1 1 A 18 18 ALA CA C 18 50.147 50.086 0.061 1
1 144 . 6 1 1 A 18 18 ALA CB C 18 23.798 21.310 2.488 1
1 145 . 6 1 1 A 18 18 ALA N N 18 122.751 126.903 -4.152 1
1 146 . 6 1 1 A 19 19 LEU H H 19 7.487 8.362 -0.875 1
1 147 . 6 1 1 A 19 19 LEU HA H 19 3.514 4.823 -1.309 1
1 157 . 6 1 1 A 19 19 LEU C C 19 175.598 176.518 -0.920 1
1 158 . 6 1 1 A 19 19 LEU CA C 19 55.165 55.218 -0.053 1
1 159 . 6 1 1 A 19 19 LEU CB C 19 43.656 42.617 1.039 1
1 163 . 6 1 1 A 19 19 LEU N N 19 123.529 125.395 -1.866 1
1 164 . 6 1 1 A 20 20 TYR H H 20 9.405 8.622 0.783 1
1 165 . 6 1 1 A 20 20 TYR HA H 20 4.939 4.673 0.266 1
1 172 . 6 1 1 A 20 20 TYR C C 20 176.593 177.026 -0.433 1
1 173 . 6 1 1 A 20 20 TYR CA C 20 55.201 59.196 -3.995 1
1 174 . 6 1 1 A 20 20 TYR CB C 20 37.899 38.968 -1.069 1
1 179 . 6 1 1 A 20 20 TYR N N 20 132.207 126.945 5.262 1
1 180 . 6 1 1 A 21 21 TRP H H 21 8.475 7.911 0.564 1
1 181 . 6 1 1 A 21 21 TRP HA H 21 4.087 4.583 -0.496 1
1 190 . 6 1 1 A 21 21 TRP C C 21 177.283 176.890 0.393 1
1 191 . 6 1 1 A 21 21 TRP CA C 21 58.695 57.507 1.188 1
1 192 . 6 1 1 A 21 21 TRP CB C 21 28.111 29.977 -1.866 1
1 198 . 6 1 1 A 21 21 TRP N N 21 128.228 126.146 2.082 1
1 200 . 6 1 1 A 22 22 GLU H H 22 4.195 6.995 -2.800 1
1 201 . 6 1 1 A 22 22 GLU HA H 22 2.895 4.149 -1.254 1
1 206 . 6 1 1 A 22 22 GLU C C 22 176.342 176.719 -0.377 1
1 207 . 6 1 1 A 22 22 GLU CA C 22 59.753 55.853 3.900 1
1 208 . 6 1 1 A 22 22 GLU CB C 22 29.468 30.123 -0.655 1
1 210 . 6 1 1 A 22 22 GLU N N 22 117.591 118.925 -1.334 1
1 211 . 6 1 1 A 23 23 ASP H H 23 6.695 7.754 -1.059 1
1 212 . 6 1 1 A 23 23 ASP HA H 23 4.554 4.785 -0.231 1
1 215 . 6 1 1 A 23 23 ASP C C 23 176.047 175.737 0.310 1
1 216 . 6 1 1 A 23 23 ASP CA C 23 51.970 53.983 -2.013 1
1 217 . 6 1 1 A 23 23 ASP CB C 23 41.353 43.221 -1.868 1
1 218 . 6 1 1 A 23 23 ASP N N 23 112.180 116.477 -4.297 1
1 219 . 6 1 1 A 24 24 ASN H H 24 8.248 7.709 0.539 1
1 220 . 6 1 1 A 24 24 ASN HA H 24 4.055 4.504 -0.449 1
1 225 . 6 1 1 A 24 24 ASN C C 24 173.702 173.599 0.103 1
1 226 . 6 1 1 A 24 24 ASN CA C 24 54.794 54.311 0.483 1
1 227 . 6 1 1 A 24 24 ASN CB C 24 37.940 36.763 1.177 1
1 228 . 6 1 1 A 24 24 ASN N N 24 116.693 115.117 1.576 1
1 230 . 6 1 1 A 25 25 LYS H H 25 7.604 7.475 0.129 1
1 231 . 6 1 1 A 25 25 LYS HA H 25 4.502 4.557 -0.055 1
1 240 . 6 1 1 A 25 25 LYS C C 25 174.726 175.150 -0.424 1
1 241 . 6 1 1 A 25 25 LYS CA C 25 54.565 54.275 0.290 1
1 242 . 6 1 1 A 25 25 LYS CB C 25 35.143 34.221 0.922 1
1 246 . 6 1 1 A 25 25 LYS N N 25 116.646 117.514 -0.868 1
1 247 . 6 1 1 A 26 26 PHE H H 26 8.361 8.510 -0.149 1
1 248 . 6 1 1 A 26 26 PHE HA H 26 5.005 4.720 0.285 1
1 256 . 6 1 1 A 26 26 PHE C C 26 176.228 175.734 0.494 1
1 257 . 6 1 1 A 26 26 PHE CA C 26 58.236 58.185 0.051 1
1 258 . 6 1 1 A 26 26 PHE CB C 26 41.148 39.254 1.894 1
1 264 . 6 1 1 A 26 26 PHE N N 26 118.446 120.210 -1.764 1
1 265 . 6 1 1 A 27 27 TYR H H 27 8.851 8.862 -0.011 1
1 266 . 6 1 1 A 27 27 TYR HA H 27 5.045 5.350 -0.305 1
1 273 . 6 1 1 A 27 27 TYR C C 27 175.380 175.046 0.334 1
1 274 . 6 1 1 A 27 27 TYR CA C 27 56.594 56.537 0.057 1
1 275 . 6 1 1 A 27 27 TYR CB C 27 43.856 42.486 1.370 1
1 280 . 6 1 1 A 27 27 TYR N N 27 118.823 123.021 -4.198 1
1 281 . 6 1 1 A 28 28 ARG H H 28 9.026 8.554 0.472 1
1 282 . 6 1 1 A 28 28 ARG HA H 28 4.202 3.062 1.140 1
1 290 . 6 1 1 A 28 28 ARG C C 28 175.789 175.363 0.426 1
1 291 . 6 1 1 A 28 28 ARG CA C 28 57.142 56.496 0.646 1
1 292 . 6 1 1 A 28 28 ARG CB C 28 30.291 30.856 -0.565 1
1 295 . 6 1 1 A 28 28 ARG N N 28 122.262 123.537 -1.275 1
1 297 . 6 1 1 A 29 29 ALA H H 29 9.157 8.548 0.609 1
1 298 . 6 1 1 A 29 29 ALA HA H 29 5.098 4.894 0.204 1
1 302 . 6 1 1 A 29 29 ALA C C 29 175.247 175.083 0.164 1
1 303 . 6 1 1 A 29 29 ALA CA C 29 51.188 51.205 -0.017 1
1 304 . 6 1 1 A 29 29 ALA CB C 29 23.153 23.181 -0.028 1
1 305 . 6 1 1 A 29 29 ALA N N 29 126.768 126.984 -0.216 1
1 306 . 6 1 1 A 30 30 GLU H H 30 8.167 8.639 -0.472 1
1 307 . 6 1 1 A 30 30 GLU HA H 30 5.085 4.814 0.271 1
1 312 . 6 1 1 A 30 30 GLU C C 30 176.265 175.179 1.086 1
1 313 . 6 1 1 A 30 30 GLU CA C 30 53.948 55.090 -1.142 1
1 314 . 6 1 1 A 30 30 GLU CB C 30 33.622 33.139 0.483 1
1 316 . 6 1 1 A 30 30 GLU N N 30 118.036 118.402 -0.366 1
1 317 . 6 1 1 A 31 31 VAL H H 31 8.961 8.950 0.011 1
1 318 . 6 1 1 A 31 31 VAL HA H 31 3.545 3.890 -0.345 1
1 326 . 6 1 1 A 31 31 VAL C C 31 175.369 176.061 -0.692 1
1 327 . 6 1 1 A 31 31 VAL CA C 31 64.571 63.212 1.359 1
1 328 . 6 1 1 A 31 31 VAL CB C 31 31.678 30.998 0.680 1
1 331 . 6 1 1 A 31 31 VAL N N 31 124.010 127.423 -3.413 1
1 332 . 6 1 1 A 32 32 GLU H H 32 9.483 8.978 0.505 1
1 333 . 6 1 1 A 32 32 GLU HA H 32 4.627 4.281 0.346 1
1 338 . 6 1 1 A 32 32 GLU C C 32 175.695 176.260 -0.565 1
1 339 . 6 1 1 A 32 32 GLU CA C 32 56.841 58.445 -1.604 1
1 340 . 6 1 1 A 32 32 GLU CB C 32 30.661 30.616 0.045 1
1 342 . 6 1 1 A 32 32 GLU N N 32 130.912 129.308 1.604 1
1 343 . 6 1 1 A 33 33 ALA H H 33 7.838 7.420 0.418 1
1 344 . 6 1 1 A 33 33 ALA HA H 33 4.456 4.661 -0.205 1
1 348 . 6 1 1 A 33 33 ALA C C 33 174.956 175.408 -0.452 1
1 349 . 6 1 1 A 33 33 ALA CA C 33 51.777 51.644 0.133 1
1 350 . 6 1 1 A 33 33 ALA CB C 33 22.189 22.719 -0.530 1
1 351 . 6 1 1 A 33 33 ALA N N 33 117.714 118.484 -0.770 1
1 352 . 6 1 1 A 34 34 LEU H H 34 8.954 8.722 0.232 1
1 353 . 6 1 1 A 34 34 LEU HA H 34 4.702 4.869 -0.167 1
1 363 . 6 1 1 A 34 34 LEU C C 34 176.325 176.442 -0.117 1
1 364 . 6 1 1 A 34 34 LEU CA C 34 53.559 53.752 -0.193 1
1 365 . 6 1 1 A 34 34 LEU CB C 34 42.381 43.000 -0.619 1
1 369 . 6 1 1 A 34 34 LEU N N 34 122.418 120.744 1.674 1
1 370 . 6 1 1 A 35 35 HIS H H 35 8.022 8.282 -0.260 1
1 371 . 6 1 1 A 35 35 HIS HA H 35 4.544 4.875 -0.331 1
1 376 . 6 1 1 A 35 35 HIS C C 35 178.300 175.653 2.647 1
1 377 . 6 1 1 A 35 35 HIS CA C 35 57.706 56.057 1.649 1
1 378 . 6 1 1 A 35 35 HIS CB C 35 32.594 31.217 1.377 1
1 381 . 6 1 1 A 35 35 HIS N N 35 123.729 121.952 1.777 1
1 382 . 6 1 1 A 37 37 SER H H 37 10.111 7.628 2.483 1
1 383 . 6 1 1 A 37 37 SER HA H 37 4.339 4.311 0.028 1
1 386 . 6 1 1 A 37 37 SER C C 37 176.434 174.649 1.785 1
1 387 . 6 1 1 A 37 37 SER CA C 37 59.895 60.264 -0.369 1
1 388 . 6 1 1 A 37 37 SER CB C 37 63.665 63.858 -0.193 1
1 389 . 6 1 1 A 37 37 SER N N 37 119.788 114.237 5.551 1
1 390 . 6 1 1 A 38 38 GLY H H 38 8.136 8.105 0.031 1
1 391 . 6 1 1 A 38 38 GLY HA2 H 38 4.257 4.106 0.151 1
1 392 . 6 1 1 A 38 38 GLY HA3 H 38 3.981 4.130 -0.149 1
1 393 . 6 1 1 A 38 38 GLY C C 38 174.441 174.637 -0.196 1
1 394 . 6 1 1 A 38 38 GLY CA C 38 46.006 45.630 0.376 1
1 395 . 6 1 1 A 38 38 GLY N N 38 108.557 108.573 -0.016 1
1 396 . 6 1 1 A 39 39 MET H H 39 8.180 8.213 -0.033 1
1 397 . 6 1 1 A 39 39 MET HA H 39 4.789 4.648 0.141 1
1 405 . 6 1 1 A 39 39 MET C C 39 177.404 176.172 1.232 1
1 406 . 6 1 1 A 39 39 MET CA C 39 55.889 56.586 -0.697 1
1 407 . 6 1 1 A 39 39 MET CB C 39 34.033 35.422 -1.389 1
1 410 . 6 1 1 A 39 39 MET N N 39 113.829 116.356 -2.527 1
1 411 . 6 1 1 A 40 40 THR H H 40 7.174 8.056 -0.882 1
1 412 . 6 1 1 A 40 40 THR HA H 40 5.182 5.033 0.149 1
1 417 . 6 1 1 A 40 40 THR C C 40 172.981 173.651 -0.670 1
1 418 . 6 1 1 A 40 40 THR CA C 40 59.559 60.057 -0.498 1
1 419 . 6 1 1 A 40 40 THR CB C 40 73.120 71.583 1.537 1
1 421 . 6 1 1 A 40 40 THR N N 40 108.160 109.294 -1.134 1
1 422 . 6 1 1 A 41 41 ALA H H 41 9.245 8.418 0.827 1
1 423 . 6 1 1 A 41 41 ALA HA H 41 4.932 4.868 0.064 1
1 427 . 6 1 1 A 41 41 ALA C C 41 175.635 176.104 -0.469 1
1 428 . 6 1 1 A 41 41 ALA CA C 41 50.417 51.528 -1.111 1
1 429 . 6 1 1 A 41 41 ALA CB C 41 22.600 23.254 -0.654 1
1 430 . 6 1 1 A 41 41 ALA N N 41 122.138 121.534 0.604 1
1 431 . 6 1 1 A 42 42 VAL H H 42 8.773 8.823 -0.050 1
1 432 . 6 1 1 A 42 42 VAL HA H 42 4.789 4.378 0.411 1
1 440 . 6 1 1 A 42 42 VAL C C 42 176.410 175.626 0.784 1
1 441 . 6 1 1 A 42 42 VAL CA C 42 62.083 62.546 -0.463 1
1 442 . 6 1 1 A 42 42 VAL CB C 42 32.776 31.348 1.428 1
1 445 . 6 1 1 A 42 42 VAL N N 42 120.320 120.780 -0.460 1
1 446 . 6 1 1 A 43 43 VAL H H 43 9.224 8.661 0.563 1
1 447 . 6 1 1 A 43 43 VAL HA H 43 5.013 4.890 0.123 1
1 455 . 6 1 1 A 43 43 VAL C C 43 172.532 174.030 -1.498 1
1 456 . 6 1 1 A 43 43 VAL CA C 43 57.812 59.290 -1.478 1
1 457 . 6 1 1 A 43 43 VAL CB C 43 34.280 34.306 -0.026 1
1 460 . 6 1 1 A 43 43 VAL N N 43 121.151 122.470 -1.319 1
1 461 . 6 1 1 A 44 44 LYS H H 44 8.645 8.510 0.135 1
1 462 . 6 1 1 A 44 44 LYS HA H 44 4.627 4.850 -0.223 1
1 471 . 6 1 1 A 44 44 LYS C C 44 177.419 175.427 1.992 1
1 472 . 6 1 1 A 44 44 LYS CA C 44 53.612 54.928 -1.316 1
1 473 . 6 1 1 A 44 44 LYS CB C 44 35.143 34.337 0.806 1
1 477 . 6 1 1 A 44 44 LYS N N 44 121.425 124.332 -2.907 1
1 478 . 6 1 1 A 45 45 PHE H H 45 8.823 8.884 -0.061 1
1 479 . 6 1 1 A 45 45 PHE HA H 45 4.505 4.599 -0.094 1
1 487 . 6 1 1 A 45 45 PHE C C 45 177.585 176.558 1.027 1
1 488 . 6 1 1 A 45 45 PHE CA C 45 59.841 57.948 1.893 1
1 489 . 6 1 1 A 45 45 PHE CB C 45 38.598 39.597 -0.999 1
1 495 . 6 1 1 A 45 45 PHE N N 45 128.232 125.842 2.390 1
1 496 . 6 1 1 A 46 46 THR H H 46 8.281 8.967 -0.686 1
1 497 . 6 1 1 A 46 46 THR HA H 46 3.738 4.000 -0.262 1
1 502 . 6 1 1 A 46 46 THR C C 46 176.410 175.873 0.537 1
1 503 . 6 1 1 A 46 46 THR CA C 46 65.930 65.579 0.351 1
1 504 . 6 1 1 A 46 46 THR CB C 46 68.743 68.787 -0.044 1
1 506 . 6 1 1 A 46 46 THR N N 46 120.729 120.747 -0.018 1
1 507 . 6 1 1 A 47 47 ASP H H 47 9.166 8.268 0.898 1
1 508 . 6 1 1 A 47 47 ASP HA H 47 4.300 3.983 0.317 1
1 511 . 6 1 1 A 47 47 ASP C C 47 176.844 177.435 -0.591 1
1 512 . 6 1 1 A 47 47 ASP CA C 47 57.283 57.295 -0.012 1
1 513 . 6 1 1 A 47 47 ASP CB C 47 40.037 40.083 -0.046 1
1 514 . 6 1 1 A 47 47 ASP N N 47 120.635 120.528 0.107 1
1 515 . 6 1 1 A 48 48 TYR H H 48 7.676 7.615 0.061 1
1 516 . 6 1 1 A 48 48 TYR HA H 48 4.605 4.635 -0.030 1
1 523 . 6 1 1 A 48 48 TYR C C 48 177.343 176.106 1.237 1
1 524 . 6 1 1 A 48 48 TYR CA C 48 57.777 58.453 -0.676 1
1 525 . 6 1 1 A 48 48 TYR CB C 48 39.914 40.209 -0.295 1
1 530 . 6 1 1 A 48 48 TYR N N 48 114.763 114.673 0.090 1
1 531 . 6 1 1 A 49 49 GLY H H 49 8.065 8.119 -0.054 1
1 532 . 6 1 1 A 49 49 GLY HA2 H 49 4.023 4.030 -0.007 1
1 533 . 6 1 1 A 49 49 GLY HA3 H 49 3.571 4.037 -0.466 1
1 534 . 6 1 1 A 49 49 GLY C C 49 172.707 174.301 -1.594 1
1 535 . 6 1 1 A 49 49 GLY CA C 49 46.165 45.223 0.942 1
1 536 . 6 1 1 A 49 49 GLY N N 49 107.679 106.819 0.860 1
1 537 . 6 1 1 A 50 50 ASN H H 50 8.836 8.146 0.690 1
1 538 . 6 1 1 A 50 50 ASN HA H 50 4.777 5.033 -0.256 1
1 543 . 6 1 1 A 50 50 ASN C C 50 173.696 173.783 -0.087 1
1 544 . 6 1 1 A 50 50 ASN CA C 50 52.747 51.841 0.906 1
1 545 . 6 1 1 A 50 50 ASN CB C 50 37.710 40.772 -3.062 1
1 546 . 6 1 1 A 50 50 ASN N N 50 114.795 116.985 -2.190 1
1 548 . 6 1 1 A 51 51 TYR H H 51 8.726 8.666 0.060 1
1 549 . 6 1 1 A 51 51 TYR HA H 51 5.696 5.074 0.622 1
1 556 . 6 1 1 A 51 51 TYR C C 51 176.871 175.768 1.103 1
1 557 . 6 1 1 A 51 51 TYR CA C 51 56.789 58.102 -1.313 1
1 558 . 6 1 1 A 51 51 TYR CB C 51 40.037 40.167 -0.130 1
1 563 . 6 1 1 A 51 51 TYR N N 51 120.703 121.638 -0.935 1
1 564 . 6 1 1 A 52 52 GLU H H 52 8.995 9.085 -0.090 1
1 565 . 6 1 1 A 52 52 GLU HA H 52 4.981 5.053 -0.072 1
1 570 . 6 1 1 A 52 52 GLU C C 52 174.629 175.274 -0.645 1
1 571 . 6 1 1 A 52 52 GLU CA C 52 54.070 55.199 -1.129 1
1 572 . 6 1 1 A 52 52 GLU CB C 52 34.814 33.827 0.987 1
1 574 . 6 1 1 A 52 52 GLU N N 52 118.929 121.777 -2.848 1
1 575 . 6 1 1 A 53 53 GLU H H 53 8.995 8.699 0.296 1
1 576 . 6 1 1 A 53 53 GLU HA H 53 5.175 4.585 0.590 1
1 581 . 6 1 1 A 53 53 GLU C C 53 176.301 175.508 0.793 1
1 582 . 6 1 1 A 53 53 GLU CA C 53 55.500 56.418 -0.918 1
1 583 . 6 1 1 A 53 53 GLU CB C 53 30.537 29.964 0.573 1
1 585 . 6 1 1 A 53 53 GLU N N 53 122.819 125.152 -2.333 1
1 586 . 6 1 1 A 54 54 VAL H H 54 9.375 8.210 1.165 1
1 587 . 6 1 1 A 54 54 VAL HA H 54 4.739 4.672 0.067 1
1 595 . 6 1 1 A 54 54 VAL C C 54 175.017 175.027 -0.010 1
1 596 . 6 1 1 A 54 54 VAL CA C 54 59.647 60.687 -1.040 1
1 597 . 6 1 1 A 54 54 VAL CB C 54 36.171 35.724 0.447 1
1 600 . 6 1 1 A 54 54 VAL N N 54 125.177 126.686 -1.509 1
1 601 . 6 1 1 A 55 55 LEU H H 55 8.744 8.534 0.210 1
1 602 . 6 1 1 A 55 55 LEU HA H 55 4.500 4.446 0.054 1
1 612 . 6 1 1 A 55 55 LEU C C 55 179.440 178.570 0.870 1
1 613 . 6 1 1 A 55 55 LEU CA C 55 55.495 54.788 0.707 1
1 614 . 6 1 1 A 55 55 LEU CB C 55 42.628 42.197 0.431 1
1 618 . 6 1 1 A 55 55 LEU N N 55 123.920 125.718 -1.798 1
1 619 . 6 1 1 A 56 56 LEU H H 56 8.324 8.854 -0.530 1
1 620 . 6 1 1 A 56 56 LEU HA H 56 3.855 4.060 -0.205 1
1 630 . 6 1 1 A 56 56 LEU C C 56 178.810 178.686 0.124 1
1 631 . 6 1 1 A 56 56 LEU CA C 56 57.883 57.426 0.457 1
1 632 . 6 1 1 A 56 56 LEU CB C 56 41.330 41.581 -0.251 1
1 636 . 6 1 1 A 56 56 LEU N N 56 123.383 123.433 -0.050 1
1 637 . 6 1 1 A 57 57 SER H H 57 7.886 8.029 -0.143 1
1 638 . 6 1 1 A 57 57 SER HA H 57 4.364 4.400 -0.036 1
1 641 . 6 1 1 A 57 57 SER C C 57 174.944 175.364 -0.420 1
1 642 . 6 1 1 A 57 57 SER CA C 57 59.859 60.627 -0.768 1
1 643 . 6 1 1 A 57 57 SER CB C 57 62.509 62.993 -0.484 1
1 644 . 6 1 1 A 57 57 SER N N 57 109.927 114.605 -4.678 1
1 645 . 6 1 1 A 58 58 ASN H H 58 8.085 7.974 0.111 1
1 646 . 6 1 1 A 58 58 ASN HA H 58 5.275 5.024 0.251 1
1 651 . 6 1 1 A 58 58 ASN C C 58 172.402 173.452 -1.050 1
1 652 . 6 1 1 A 58 58 ASN CA C 58 52.535 53.224 -0.689 1
1 653 . 6 1 1 A 58 58 ASN CB C 58 39.585 39.239 0.346 1
1 654 . 6 1 1 A 58 58 ASN N N 58 120.812 116.659 4.153 1
1 656 . 6 1 1 A 59 59 ILE H H 59 7.291 7.221 0.070 1
1 657 . 6 1 1 A 59 59 ILE HA H 59 5.125 5.147 -0.022 1
1 667 . 6 1 1 A 59 59 ILE C C 59 174.980 174.685 0.295 1
1 668 . 6 1 1 A 59 59 ILE CA C 59 60.659 59.898 0.761 1
1 669 . 6 1 1 A 59 59 ILE CB C 59 39.996 40.071 -0.075 1
1 673 . 6 1 1 A 59 59 ILE N N 59 115.444 121.476 -6.032 1
1 674 . 6 1 1 A 60 60 LYS H H 60 9.366 9.115 0.251 1
1 675 . 6 1 1 A 60 60 LYS HA H 60 5.300 4.934 0.366 1
1 684 . 6 1 1 A 60 60 LYS C C 60 173.381 174.380 -0.999 1
1 685 . 6 1 1 A 60 60 LYS CA C 60 52.977 52.757 0.220 1
1 686 . 6 1 1 A 60 60 LYS CB C 60 34.814 34.132 0.682 1
1 690 . 6 1 1 A 60 60 LYS N N 60 122.819 127.098 -4.279 1
1 691 . 6 1 1 A 61 61 PRO HA H 61 5.027 5.029 -0.002 1
1 698 . 6 1 1 A 61 61 PRO C C 61 176.256 176.996 -0.740 1
1 699 . 6 1 1 A 61 61 PRO CA C 61 62.754 63.051 -0.297 1
1 700 . 6 1 1 A 61 61 PRO CB C 61 32.594 31.999 0.595 1
1 703 . 6 1 1 A 62 62 VAL H H 62 8.525 8.107 0.418 1
1 704 . 6 1 1 A 62 62 VAL HA H 62 3.969 4.304 -0.335 1
1 712 . 6 1 1 A 62 62 VAL C C 62 176.192 176.243 -0.051 1
1 713 . 6 1 1 A 62 62 VAL CA C 62 62.895 62.733 0.162 1
1 714 . 6 1 1 A 62 62 VAL CB C 62 32.059 32.343 -0.284 1
1 717 . 6 1 1 A 62 62 VAL N N 62 117.807 123.392 -5.585 1
1 718 . 6 1 1 A 63 63 GLN H H 63 7.815 8.457 -0.642 1
1 719 . 6 1 1 A 63 63 GLN HA H 63 4.415 4.216 0.199 1
1 726 . 6 1 1 A 63 63 GLN C C 63 175.716 175.664 0.052 1
1 727 . 6 1 1 A 63 63 GLN CA C 63 55.535 57.039 -1.504 1
1 728 . 6 1 1 A 63 63 GLN CB C 63 29.468 28.789 0.679 1
1 730 . 6 1 1 A 63 63 GLN N N 63 122.188 125.819 -3.631 1
1 732 . 6 1 1 A 64 64 THR H H 64 8.185 8.498 -0.313 1
1 733 . 6 1 1 A 64 64 THR HA H 64 4.154 5.034 -0.880 1
1 738 . 6 1 1 A 64 64 THR C C 64 174.616 172.418 2.198 1
1 739 . 6 1 1 A 64 64 THR CA C 64 62.277 60.268 2.009 1
1 740 . 6 1 1 A 64 64 THR CB C 64 69.565 71.783 -2.218 1
1 742 . 6 1 1 A 64 64 THR N N 64 116.169 117.980 -1.811 1
1 743 . 6 1 1 A 65 65 GLU H H 65 8.460 8.969 -0.509 1
1 744 . 6 1 1 A 65 65 GLU HA H 65 4.174 4.660 -0.486 1
1 749 . 6 1 1 A 65 65 GLU C C 65 176.216 176.490 -0.274 1
1 750 . 6 1 1 A 65 65 GLU CA C 65 56.647 55.363 1.284 1
1 751 . 6 1 1 A 65 65 GLU CB C 65 30.044 29.169 0.875 1
1 753 . 6 1 1 A 65 65 GLU N N 65 123.014 128.357 -5.343 1
1 754 . 6 1 1 A 66 66 ALA H H 66 8.245 8.471 -0.226 1
1 755 . 6 1 1 A 66 66 ALA HA H 66 4.205 4.661 -0.456 1
1 759 . 6 1 1 A 66 66 ALA C C 66 177.258 177.077 0.181 1
1 760 . 6 1 1 A 66 66 ALA CA C 66 52.730 51.177 1.553 1
1 761 . 6 1 1 A 66 66 ALA CB C 66 19.064 19.000 0.064 1
1 762 . 6 1 1 A 66 66 ALA N N 66 124.251 127.779 -3.528 1
1 763 . 6 1 1 A 67 67 TRP H H 67 7.875 8.069 -0.194 1
1 764 . 6 1 1 A 67 67 TRP HA H 67 4.609 4.782 -0.173 1
1 772 . 6 1 1 A 67 67 TRP C C 67 175.889 176.916 -1.027 1
1 773 . 6 1 1 A 67 67 TRP CA C 67 57.106 58.333 -1.227 1
1 774 . 6 1 1 A 67 67 TRP CB C 67 29.427 30.490 -1.063 1
1 779 . 6 1 1 A 67 67 TRP N N 67 119.568 120.976 -1.408 1
1 781 . 6 1 1 A 68 68 VAL H H 68 7.815 8.644 -0.829 1
1 782 . 6 1 1 A 68 68 VAL HA H 68 3.917 4.629 -0.712 1
1 790 . 6 1 1 A 68 68 VAL C C 68 175.368 174.246 1.122 1
1 791 . 6 1 1 A 68 68 VAL CA C 68 62.189 60.423 1.766 1
1 792 . 6 1 1 A 68 68 VAL CB C 68 32.981 35.843 -2.862 1
1 795 . 6 1 1 A 68 68 VAL N N 68 122.485 123.108 -0.623 1
1 796 . 6 1 1 A 69 69 ARG H H 69 8.084 8.811 -0.727 1
1 797 . 6 1 1 A 69 69 ARG HA H 69 4.107 4.700 -0.593 1
1 804 . 6 1 1 A 69 69 ARG C C 69 175.465 174.569 0.896 1
1 805 . 6 1 1 A 69 69 ARG CA C 69 55.841 56.169 -0.328 1
1 806 . 6 1 1 A 69 69 ARG CB C 69 30.949 31.286 -0.337 1
1 809 . 6 1 1 A 69 69 ARG N N 69 124.540 127.434 -2.894 1
1 810 . 6 1 1 A 70 70 ASP H H 70 8.365 8.603 -0.238 1
1 811 . 6 1 1 A 70 70 ASP HA H 70 4.780 5.093 -0.313 1
1 814 . 6 1 1 A 70 70 ASP C C 70 175.319 174.257 1.062 1
1 815 . 6 1 1 A 70 70 ASP CA C 70 51.882 50.619 1.263 1
1 816 . 6 1 1 A 70 70 ASP CB C 70 41.312 44.533 -3.221 1
1 817 . 6 1 1 A 70 70 ASP N N 70 123.498 125.097 -1.599 1
1 818 . 6 1 1 A 71 71 PRO HA H 71 4.355 4.595 -0.240 1
1 825 . 6 1 1 A 71 71 PRO C C 71 177.091 175.855 1.236 1
1 826 . 6 1 1 A 71 71 PRO CA C 71 63.777 62.398 1.379 1
1 827 . 6 1 1 A 71 71 PRO CB C 71 32.118 33.285 -1.167 1
1 830 . 6 1 1 A 72 72 ASN H H 72 8.521 8.355 0.166 1
1 831 . 6 1 1 A 72 72 ASN HA H 72 4.764 5.195 -0.431 1
1 836 . 6 1 1 A 72 72 ASN C C 72 175.312 175.212 0.100 1
1 837 . 6 1 1 A 72 72 ASN CA C 72 53.471 52.040 1.431 1
1 838 . 6 1 1 A 72 72 ASN CB C 72 38.869 41.369 -2.500 1
1 839 . 6 1 1 A 72 72 ASN N N 72 117.256 115.920 1.336 1
1 841 . 6 1 1 A 73 73 SER H H 73 7.937 8.801 -0.864 1
1 842 . 6 1 1 A 73 73 SER HA H 73 4.429 4.170 0.259 1
1 845 . 6 1 1 A 73 73 SER C C 73 174.532 174.526 0.006 1
1 846 . 6 1 1 A 73 73 SER CA C 73 58.642 61.254 -2.612 1
1 847 . 6 1 1 A 73 73 SER CB C 73 64.137 63.626 0.511 1
1 848 . 6 1 1 A 73 73 SER N N 73 115.503 115.576 -0.073 1
1 849 . 6 1 1 A 74 74 GLY H H 74 8.206 7.251 0.955 1
1 850 . 6 1 1 A 74 74 GLY HA2 H 74 4.071 4.052 0.019 1
1 851 . 6 1 1 A 74 74 GLY HA3 H 74 4.123 4.052 0.071 1
1 852 . 6 1 1 A 74 74 GLY C C 74 171.781 171.651 0.130 1
1 853 . 6 1 1 A 74 74 GLY CA C 74 44.682 45.343 -0.661 1
1 854 . 6 1 1 A 74 74 GLY N N 74 110.659 106.238 4.421 1
1 855 . 6 1 1 A 75 75 PRO HA H 75 4.446 4.715 -0.269 1
1 862 . 6 1 1 A 75 75 PRO C C 75 177.407 175.251 2.156 1
1 863 . 6 1 1 A 75 75 PRO CA C 75 63.212 62.728 0.484 1
1 864 . 6 1 1 A 75 75 PRO CB C 75 32.182 31.448 0.734 1
1 867 . 6 1 1 A 76 76 SER H H 76 8.504 8.795 -0.291 1
1 868 . 6 1 1 A 76 76 SER HA H 76 4.489 4.875 -0.386 1
1 871 . 6 1 1 A 76 76 SER C C 76 174.677 172.372 2.305 1
1 872 . 6 1 1 A 76 76 SER CA C 76 58.359 57.136 1.223 1
1 873 . 6 1 1 A 76 76 SER CB C 76 64.013 65.615 -1.602 1
1 874 . 6 1 1 A 76 76 SER N N 76 116.388 119.543 -3.155 1
1 875 . 6 1 1 A 77 77 SER H H 77 8.312 8.992 -0.680 1
1 876 . 6 1 1 A 77 77 SER C C 77 173.914 174.639 -0.725 1
1 877 . 6 1 1 A 77 77 SER CA C 77 58.342 57.471 0.871 1
1 878 . 6 1 1 A 77 77 SER CB C 77 64.013 64.135 -0.122 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.892 4.156 -0.264 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.892 4.165 -0.273 1
1 3 . 7 1 1 A 7 7 GLY C C 7 173.405 172.247 1.158 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.070 45.612 -0.542 1
1 5 . 7 1 1 A 8 8 LYS H H 8 7.913 8.183 -0.270 1
1 6 . 7 1 1 A 8 8 LYS HA H 8 4.031 4.148 -0.117 1
1 15 . 7 1 1 A 8 8 LYS C C 8 175.501 175.815 -0.314 1
1 16 . 7 1 1 A 8 8 LYS CA C 8 55.765 56.644 -0.879 1
1 17 . 7 1 1 A 8 8 LYS CB C 8 33.046 32.661 0.385 1
1 21 . 7 1 1 A 8 8 LYS N N 8 121.849 121.085 0.764 1
1 22 . 7 1 1 A 9 9 VAL H H 9 8.175 8.518 -0.343 1
1 23 . 7 1 1 A 9 9 VAL HA H 9 4.082 4.555 -0.473 1
1 31 . 7 1 1 A 9 9 VAL C C 9 175.680 174.083 1.597 1
1 32 . 7 1 1 A 9 9 VAL CA C 9 61.571 60.163 1.408 1
1 33 . 7 1 1 A 9 9 VAL CB C 9 32.224 33.730 -1.506 1
1 36 . 7 1 1 A 9 9 VAL N N 9 125.536 126.777 -1.241 1
1 37 . 7 1 1 A 10 10 TRP H H 10 8.125 9.107 -0.982 1
1 38 . 7 1 1 A 10 10 TRP HA H 10 4.667 5.251 -0.584 1
1 47 . 7 1 1 A 10 10 TRP C C 10 174.859 175.351 -0.492 1
1 48 . 7 1 1 A 10 10 TRP CA C 10 57.088 56.691 0.397 1
1 49 . 7 1 1 A 10 10 TRP CB C 10 31.730 31.639 0.091 1
1 55 . 7 1 1 A 10 10 TRP N N 10 127.817 129.289 -1.472 1
1 57 . 7 1 1 A 11 11 LYS H H 11 9.090 9.331 -0.241 1
1 58 . 7 1 1 A 11 11 LYS HA H 11 4.856 5.064 -0.208 1
1 67 . 7 1 1 A 11 11 LYS C C 11 172.968 173.656 -0.688 1
1 68 . 7 1 1 A 11 11 LYS CA C 11 53.330 53.681 -0.351 1
1 69 . 7 1 1 A 11 11 LYS CB C 11 33.827 35.801 -1.974 1
1 73 . 7 1 1 A 11 11 LYS N N 11 120.688 118.935 1.753 1
1 74 . 7 1 1 A 12 12 PRO HA H 12 3.894 4.300 -0.406 1
1 81 . 7 1 1 A 12 12 PRO C C 12 177.287 177.598 -0.311 1
1 82 . 7 1 1 A 12 12 PRO CA C 12 63.812 63.809 0.003 1
1 83 . 7 1 1 A 12 12 PRO CB C 12 31.278 31.290 -0.012 1
1 86 . 7 1 1 A 13 13 GLY H H 13 9.494 9.237 0.257 1
1 87 . 7 1 1 A 13 13 GLY HA2 H 13 4.431 3.981 0.450 1
1 88 . 7 1 1 A 13 13 GLY HA3 H 13 3.746 3.984 -0.238 1
1 89 . 7 1 1 A 13 13 GLY C C 13 174.798 173.626 1.172 1
1 90 . 7 1 1 A 13 13 GLY CA C 13 44.559 45.339 -0.780 1
1 91 . 7 1 1 A 13 13 GLY N N 13 114.764 112.689 2.075 1
1 92 . 7 1 1 A 14 14 ASP H H 14 8.005 8.011 -0.006 1
1 93 . 7 1 1 A 14 14 ASP HA H 14 4.665 4.880 -0.215 1
1 96 . 7 1 1 A 14 14 ASP C C 14 176.143 175.671 0.472 1
1 97 . 7 1 1 A 14 14 ASP CA C 14 55.553 53.324 2.229 1
1 98 . 7 1 1 A 14 14 ASP CB C 14 41.600 43.294 -1.694 1
1 99 . 7 1 1 A 14 14 ASP N N 14 121.257 120.379 0.878 1
1 100 . 7 1 1 A 15 15 GLU H H 15 8.645 8.765 -0.120 1
1 101 . 7 1 1 A 15 15 GLU HA H 15 4.852 4.473 0.379 1
1 106 . 7 1 1 A 15 15 GLU C C 15 175.679 176.637 -0.958 1
1 107 . 7 1 1 A 15 15 GLU CA C 15 55.783 56.719 -0.936 1
1 108 . 7 1 1 A 15 15 GLU CB C 15 31.295 29.783 1.512 1
1 110 . 7 1 1 A 15 15 GLU N N 15 121.409 124.598 -3.189 1
1 111 . 7 1 1 A 16 16 CYS H H 16 8.735 9.172 -0.437 1
1 112 . 7 1 1 A 16 16 CYS HA H 16 5.086 5.131 -0.045 1
1 115 . 7 1 1 A 16 16 CYS C C 16 172.636 172.973 -0.337 1
1 116 . 7 1 1 A 16 16 CYS CA C 16 56.418 56.451 -0.033 1
1 117 . 7 1 1 A 16 16 CYS CB C 16 32.553 31.002 1.551 1
1 118 . 7 1 1 A 16 16 CYS N N 16 116.207 121.691 -5.484 1
1 119 . 7 1 1 A 17 17 PHE H H 17 9.125 9.325 -0.200 1
1 120 . 7 1 1 A 17 17 PHE HA H 17 5.235 5.444 -0.209 1
1 128 . 7 1 1 A 17 17 PHE C C 17 174.823 175.180 -0.357 1
1 129 . 7 1 1 A 17 17 PHE CA C 17 57.547 57.108 0.439 1
1 130 . 7 1 1 A 17 17 PHE CB C 17 42.053 40.169 1.884 1
1 136 . 7 1 1 A 17 17 PHE N N 17 116.836 121.004 -4.168 1
1 137 . 7 1 1 A 18 18 ALA H H 18 9.373 9.009 0.364 1
1 138 . 7 1 1 A 18 18 ALA HA H 18 5.552 5.389 0.163 1
1 142 . 7 1 1 A 18 18 ALA C C 18 175.841 176.039 -0.198 1
1 143 . 7 1 1 A 18 18 ALA CA C 18 50.147 49.968 0.179 1
1 144 . 7 1 1 A 18 18 ALA CB C 18 23.798 21.798 2.000 1
1 145 . 7 1 1 A 18 18 ALA N N 18 122.751 127.419 -4.668 1
1 146 . 7 1 1 A 19 19 LEU H H 19 7.487 8.274 -0.787 1
1 147 . 7 1 1 A 19 19 LEU HA H 19 3.514 4.802 -1.288 1
1 157 . 7 1 1 A 19 19 LEU C C 19 175.598 176.644 -1.046 1
1 158 . 7 1 1 A 19 19 LEU CA C 19 55.165 55.075 0.090 1
1 159 . 7 1 1 A 19 19 LEU CB C 19 43.656 42.888 0.768 1
1 163 . 7 1 1 A 19 19 LEU N N 19 123.529 125.088 -1.559 1
1 164 . 7 1 1 A 20 20 TYR H H 20 9.405 8.667 0.738 1
1 165 . 7 1 1 A 20 20 TYR HA H 20 4.939 4.849 0.090 1
1 172 . 7 1 1 A 20 20 TYR C C 20 176.593 177.109 -0.516 1
1 173 . 7 1 1 A 20 20 TYR CA C 20 55.201 58.847 -3.646 1
1 174 . 7 1 1 A 20 20 TYR CB C 20 37.899 39.541 -1.642 1
1 179 . 7 1 1 A 20 20 TYR N N 20 132.207 126.995 5.212 1
1 180 . 7 1 1 A 21 21 TRP H H 21 8.475 7.860 0.615 1
1 181 . 7 1 1 A 21 21 TRP HA H 21 4.087 4.618 -0.531 1
1 190 . 7 1 1 A 21 21 TRP C C 21 177.283 176.726 0.557 1
1 191 . 7 1 1 A 21 21 TRP CA C 21 58.695 57.008 1.687 1
1 192 . 7 1 1 A 21 21 TRP CB C 21 28.111 30.265 -2.154 1
1 198 . 7 1 1 A 21 21 TRP N N 21 128.228 125.362 2.866 1
1 200 . 7 1 1 A 22 22 GLU H H 22 4.195 7.176 -2.981 1
1 201 . 7 1 1 A 22 22 GLU HA H 22 2.895 4.152 -1.257 1
1 206 . 7 1 1 A 22 22 GLU C C 22 176.342 176.709 -0.367 1
1 207 . 7 1 1 A 22 22 GLU CA C 22 59.753 56.131 3.622 1
1 208 . 7 1 1 A 22 22 GLU CB C 22 29.468 30.622 -1.154 1
1 210 . 7 1 1 A 22 22 GLU N N 22 117.591 118.956 -1.365 1
1 211 . 7 1 1 A 23 23 ASP H H 23 6.695 7.827 -1.132 1
1 212 . 7 1 1 A 23 23 ASP HA H 23 4.554 4.776 -0.222 1
1 215 . 7 1 1 A 23 23 ASP C C 23 176.047 175.886 0.161 1
1 216 . 7 1 1 A 23 23 ASP CA C 23 51.970 54.117 -2.147 1
1 217 . 7 1 1 A 23 23 ASP CB C 23 41.353 43.018 -1.665 1
1 218 . 7 1 1 A 23 23 ASP N N 23 112.180 116.469 -4.289 1
1 219 . 7 1 1 A 24 24 ASN H H 24 8.248 7.948 0.300 1
1 220 . 7 1 1 A 24 24 ASN HA H 24 4.055 4.427 -0.372 1
1 225 . 7 1 1 A 24 24 ASN C C 24 173.702 173.618 0.084 1
1 226 . 7 1 1 A 24 24 ASN CA C 24 54.794 54.350 0.444 1
1 227 . 7 1 1 A 24 24 ASN CB C 24 37.940 36.848 1.092 1
1 228 . 7 1 1 A 24 24 ASN N N 24 116.693 115.197 1.496 1
1 230 . 7 1 1 A 25 25 LYS H H 25 7.604 7.505 0.099 1
1 231 . 7 1 1 A 25 25 LYS HA H 25 4.502 4.540 -0.038 1
1 240 . 7 1 1 A 25 25 LYS C C 25 174.726 175.229 -0.503 1
1 241 . 7 1 1 A 25 25 LYS CA C 25 54.565 54.130 0.435 1
1 242 . 7 1 1 A 25 25 LYS CB C 25 35.143 34.431 0.712 1
1 246 . 7 1 1 A 25 25 LYS N N 25 116.646 117.598 -0.952 1
1 247 . 7 1 1 A 26 26 PHE H H 26 8.361 8.504 -0.143 1
1 248 . 7 1 1 A 26 26 PHE HA H 26 5.005 4.676 0.329 1
1 256 . 7 1 1 A 26 26 PHE C C 26 176.228 175.423 0.805 1
1 257 . 7 1 1 A 26 26 PHE CA C 26 58.236 58.740 -0.504 1
1 258 . 7 1 1 A 26 26 PHE CB C 26 41.148 40.090 1.058 1
1 264 . 7 1 1 A 26 26 PHE N N 26 118.446 119.806 -1.360 1
1 265 . 7 1 1 A 27 27 TYR H H 27 8.851 8.835 0.016 1
1 266 . 7 1 1 A 27 27 TYR HA H 27 5.045 5.072 -0.027 1
1 273 . 7 1 1 A 27 27 TYR C C 27 175.380 174.805 0.575 1
1 274 . 7 1 1 A 27 27 TYR CA C 27 56.594 56.496 0.098 1
1 275 . 7 1 1 A 27 27 TYR CB C 27 43.856 42.178 1.678 1
1 280 . 7 1 1 A 27 27 TYR N N 27 118.823 121.462 -2.639 1
1 281 . 7 1 1 A 28 28 ARG H H 28 9.026 8.434 0.592 1
1 282 . 7 1 1 A 28 28 ARG HA H 28 4.202 3.159 1.043 1
1 290 . 7 1 1 A 28 28 ARG C C 28 175.789 175.199 0.590 1
1 291 . 7 1 1 A 28 28 ARG CA C 28 57.142 56.626 0.516 1
1 292 . 7 1 1 A 28 28 ARG CB C 28 30.291 30.856 -0.565 1
1 295 . 7 1 1 A 28 28 ARG N N 28 122.262 123.576 -1.314 1
1 297 . 7 1 1 A 29 29 ALA H H 29 9.157 8.176 0.981 1
1 298 . 7 1 1 A 29 29 ALA HA H 29 5.098 5.030 0.068 1
1 302 . 7 1 1 A 29 29 ALA C C 29 175.247 175.063 0.184 1
1 303 . 7 1 1 A 29 29 ALA CA C 29 51.188 51.309 -0.121 1
1 304 . 7 1 1 A 29 29 ALA CB C 29 23.153 22.907 0.246 1
1 305 . 7 1 1 A 29 29 ALA N N 29 126.768 126.877 -0.109 1
1 306 . 7 1 1 A 30 30 GLU H H 30 8.167 8.762 -0.595 1
1 307 . 7 1 1 A 30 30 GLU HA H 30 5.085 4.751 0.334 1
1 312 . 7 1 1 A 30 30 GLU C C 30 176.265 175.094 1.171 1
1 313 . 7 1 1 A 30 30 GLU CA C 30 53.948 55.540 -1.592 1
1 314 . 7 1 1 A 30 30 GLU CB C 30 33.622 33.260 0.362 1
1 316 . 7 1 1 A 30 30 GLU N N 30 118.036 118.308 -0.272 1
1 317 . 7 1 1 A 31 31 VAL H H 31 8.961 8.741 0.220 1
1 318 . 7 1 1 A 31 31 VAL HA H 31 3.545 3.912 -0.367 1
1 326 . 7 1 1 A 31 31 VAL C C 31 175.369 175.749 -0.380 1
1 327 . 7 1 1 A 31 31 VAL CA C 31 64.571 63.575 0.996 1
1 328 . 7 1 1 A 31 31 VAL CB C 31 31.678 31.385 0.293 1
1 331 . 7 1 1 A 31 31 VAL N N 31 124.010 127.401 -3.391 1
1 332 . 7 1 1 A 32 32 GLU H H 32 9.483 9.449 0.034 1
1 333 . 7 1 1 A 32 32 GLU HA H 32 4.627 4.343 0.284 1
1 338 . 7 1 1 A 32 32 GLU C C 32 175.695 176.135 -0.440 1
1 339 . 7 1 1 A 32 32 GLU CA C 32 56.841 58.189 -1.348 1
1 340 . 7 1 1 A 32 32 GLU CB C 32 30.661 30.548 0.113 1
1 342 . 7 1 1 A 32 32 GLU N N 32 130.912 129.486 1.426 1
1 343 . 7 1 1 A 33 33 ALA H H 33 7.838 7.491 0.347 1
1 344 . 7 1 1 A 33 33 ALA HA H 33 4.456 4.673 -0.217 1
1 348 . 7 1 1 A 33 33 ALA C C 33 174.956 175.893 -0.937 1
1 349 . 7 1 1 A 33 33 ALA CA C 33 51.777 51.624 0.153 1
1 350 . 7 1 1 A 33 33 ALA CB C 33 22.189 22.697 -0.508 1
1 351 . 7 1 1 A 33 33 ALA N N 33 117.714 119.103 -1.389 1
1 352 . 7 1 1 A 34 34 LEU H H 34 8.954 8.704 0.250 1
1 353 . 7 1 1 A 34 34 LEU HA H 34 4.702 4.643 0.059 1
1 363 . 7 1 1 A 34 34 LEU C C 34 176.325 176.331 -0.006 1
1 364 . 7 1 1 A 34 34 LEU CA C 34 53.559 54.237 -0.678 1
1 365 . 7 1 1 A 34 34 LEU CB C 34 42.381 42.620 -0.239 1
1 369 . 7 1 1 A 34 34 LEU N N 34 122.418 123.406 -0.988 1
1 370 . 7 1 1 A 35 35 HIS H H 35 8.022 7.980 0.042 1
1 371 . 7 1 1 A 35 35 HIS HA H 35 4.544 4.940 -0.396 1
1 376 . 7 1 1 A 35 35 HIS C C 35 178.300 175.572 2.728 1
1 377 . 7 1 1 A 35 35 HIS CA C 35 57.706 54.912 2.794 1
1 378 . 7 1 1 A 35 35 HIS CB C 35 32.594 31.878 0.716 1
1 381 . 7 1 1 A 35 35 HIS N N 35 123.729 120.764 2.965 1
1 382 . 7 1 1 A 37 37 SER H H 37 10.111 7.402 2.709 1
1 383 . 7 1 1 A 37 37 SER HA H 37 4.339 4.135 0.204 1
1 386 . 7 1 1 A 37 37 SER C C 37 176.434 174.640 1.794 1
1 387 . 7 1 1 A 37 37 SER CA C 37 59.895 60.878 -0.983 1
1 388 . 7 1 1 A 37 37 SER CB C 37 63.665 63.357 0.308 1
1 389 . 7 1 1 A 37 37 SER N N 37 119.788 115.028 4.760 1
1 390 . 7 1 1 A 38 38 GLY H H 38 8.136 7.975 0.161 1
1 391 . 7 1 1 A 38 38 GLY HA2 H 38 4.257 3.982 0.275 1
1 392 . 7 1 1 A 38 38 GLY HA3 H 38 3.981 4.002 -0.021 1
1 393 . 7 1 1 A 38 38 GLY C C 38 174.441 174.425 0.016 1
1 394 . 7 1 1 A 38 38 GLY CA C 38 46.006 45.985 0.021 1
1 395 . 7 1 1 A 38 38 GLY N N 38 108.557 108.346 0.211 1
1 396 . 7 1 1 A 39 39 MET H H 39 8.180 8.141 0.039 1
1 397 . 7 1 1 A 39 39 MET HA H 39 4.789 4.714 0.075 1
1 405 . 7 1 1 A 39 39 MET C C 39 177.404 176.223 1.181 1
1 406 . 7 1 1 A 39 39 MET CA C 39 55.889 56.427 -0.538 1
1 407 . 7 1 1 A 39 39 MET CB C 39 34.033 35.093 -1.060 1
1 410 . 7 1 1 A 39 39 MET N N 39 113.829 116.517 -2.688 1
1 411 . 7 1 1 A 40 40 THR H H 40 7.174 8.066 -0.892 1
1 412 . 7 1 1 A 40 40 THR HA H 40 5.182 4.900 0.282 1
1 417 . 7 1 1 A 40 40 THR C C 40 172.981 173.867 -0.886 1
1 418 . 7 1 1 A 40 40 THR CA C 40 59.559 60.090 -0.531 1
1 419 . 7 1 1 A 40 40 THR CB C 40 73.120 71.654 1.466 1
1 421 . 7 1 1 A 40 40 THR N N 40 108.160 109.835 -1.675 1
1 422 . 7 1 1 A 41 41 ALA H H 41 9.245 8.477 0.768 1
1 423 . 7 1 1 A 41 41 ALA HA H 41 4.932 4.846 0.086 1
1 427 . 7 1 1 A 41 41 ALA C C 41 175.635 176.154 -0.519 1
1 428 . 7 1 1 A 41 41 ALA CA C 41 50.417 51.726 -1.309 1
1 429 . 7 1 1 A 41 41 ALA CB C 41 22.600 22.902 -0.302 1
1 430 . 7 1 1 A 41 41 ALA N N 41 122.138 122.032 0.106 1
1 431 . 7 1 1 A 42 42 VAL H H 42 8.773 8.846 -0.073 1
1 432 . 7 1 1 A 42 42 VAL HA H 42 4.789 4.221 0.568 1
1 440 . 7 1 1 A 42 42 VAL C C 42 176.410 175.583 0.827 1
1 441 . 7 1 1 A 42 42 VAL CA C 42 62.083 62.880 -0.797 1
1 442 . 7 1 1 A 42 42 VAL CB C 42 32.776 31.403 1.373 1
1 445 . 7 1 1 A 42 42 VAL N N 42 120.320 121.920 -1.600 1
1 446 . 7 1 1 A 43 43 VAL H H 43 9.224 8.699 0.525 1
1 447 . 7 1 1 A 43 43 VAL HA H 43 5.013 4.896 0.117 1
1 455 . 7 1 1 A 43 43 VAL C C 43 172.532 173.866 -1.334 1
1 456 . 7 1 1 A 43 43 VAL CA C 43 57.812 59.013 -1.201 1
1 457 . 7 1 1 A 43 43 VAL CB C 43 34.280 34.305 -0.025 1
1 460 . 7 1 1 A 43 43 VAL N N 43 121.151 122.399 -1.248 1
1 461 . 7 1 1 A 44 44 LYS H H 44 8.645 8.639 0.006 1
1 462 . 7 1 1 A 44 44 LYS HA H 44 4.627 4.793 -0.166 1
1 471 . 7 1 1 A 44 44 LYS C C 44 177.419 175.066 2.353 1
1 472 . 7 1 1 A 44 44 LYS CA C 44 53.612 54.624 -1.012 1
1 473 . 7 1 1 A 44 44 LYS CB C 44 35.143 34.635 0.508 1
1 477 . 7 1 1 A 44 44 LYS N N 44 121.425 123.709 -2.284 1
1 478 . 7 1 1 A 45 45 PHE H H 45 8.823 8.974 -0.151 1
1 479 . 7 1 1 A 45 45 PHE HA H 45 4.505 4.661 -0.156 1
1 487 . 7 1 1 A 45 45 PHE C C 45 177.585 176.549 1.036 1
1 488 . 7 1 1 A 45 45 PHE CA C 45 59.841 57.690 2.151 1
1 489 . 7 1 1 A 45 45 PHE CB C 45 38.598 40.054 -1.456 1
1 495 . 7 1 1 A 45 45 PHE N N 45 128.232 125.884 2.348 1
1 496 . 7 1 1 A 46 46 THR H H 46 8.281 8.692 -0.411 1
1 497 . 7 1 1 A 46 46 THR HA H 46 3.738 4.030 -0.292 1
1 502 . 7 1 1 A 46 46 THR C C 46 176.410 176.100 0.310 1
1 503 . 7 1 1 A 46 46 THR CA C 46 65.930 65.558 0.372 1
1 504 . 7 1 1 A 46 46 THR CB C 46 68.743 68.860 -0.117 1
1 506 . 7 1 1 A 46 46 THR N N 46 120.729 120.111 0.618 1
1 507 . 7 1 1 A 47 47 ASP H H 47 9.166 8.410 0.756 1
1 508 . 7 1 1 A 47 47 ASP HA H 47 4.300 3.953 0.347 1
1 511 . 7 1 1 A 47 47 ASP C C 47 176.844 176.952 -0.108 1
1 512 . 7 1 1 A 47 47 ASP CA C 47 57.283 57.207 0.076 1
1 513 . 7 1 1 A 47 47 ASP CB C 47 40.037 39.999 0.038 1
1 514 . 7 1 1 A 47 47 ASP N N 47 120.635 120.421 0.214 1
1 515 . 7 1 1 A 48 48 TYR H H 48 7.676 7.575 0.101 1
1 516 . 7 1 1 A 48 48 TYR HA H 48 4.605 4.642 -0.037 1
1 523 . 7 1 1 A 48 48 TYR C C 48 177.343 176.185 1.158 1
1 524 . 7 1 1 A 48 48 TYR CA C 48 57.777 58.476 -0.699 1
1 525 . 7 1 1 A 48 48 TYR CB C 48 39.914 41.044 -1.130 1
1 530 . 7 1 1 A 48 48 TYR N N 48 114.763 113.327 1.436 1
1 531 . 7 1 1 A 49 49 GLY H H 49 8.065 8.109 -0.044 1
1 532 . 7 1 1 A 49 49 GLY HA2 H 49 4.023 4.007 0.016 1
1 533 . 7 1 1 A 49 49 GLY HA3 H 49 3.571 4.018 -0.447 1
1 534 . 7 1 1 A 49 49 GLY C C 49 172.707 174.220 -1.513 1
1 535 . 7 1 1 A 49 49 GLY CA C 49 46.165 45.233 0.932 1
1 536 . 7 1 1 A 49 49 GLY N N 49 107.679 107.536 0.143 1
1 537 . 7 1 1 A 50 50 ASN H H 50 8.836 8.076 0.760 1
1 538 . 7 1 1 A 50 50 ASN HA H 50 4.777 5.085 -0.308 1
1 543 . 7 1 1 A 50 50 ASN C C 50 173.696 173.659 0.037 1
1 544 . 7 1 1 A 50 50 ASN CA C 50 52.747 51.584 1.163 1
1 545 . 7 1 1 A 50 50 ASN CB C 50 37.710 41.048 -3.338 1
1 546 . 7 1 1 A 50 50 ASN N N 50 114.795 116.563 -1.768 1
1 548 . 7 1 1 A 51 51 TYR H H 51 8.726 8.654 0.072 1
1 549 . 7 1 1 A 51 51 TYR HA H 51 5.696 5.128 0.568 1
1 556 . 7 1 1 A 51 51 TYR C C 51 176.871 175.639 1.232 1
1 557 . 7 1 1 A 51 51 TYR CA C 51 56.789 57.794 -1.005 1
1 558 . 7 1 1 A 51 51 TYR CB C 51 40.037 40.036 0.001 1
1 563 . 7 1 1 A 51 51 TYR N N 51 120.703 121.620 -0.917 1
1 564 . 7 1 1 A 52 52 GLU H H 52 8.995 9.187 -0.192 1
1 565 . 7 1 1 A 52 52 GLU HA H 52 4.981 5.011 -0.030 1
1 570 . 7 1 1 A 52 52 GLU C C 52 174.629 175.081 -0.452 1
1 571 . 7 1 1 A 52 52 GLU CA C 52 54.070 55.239 -1.169 1
1 572 . 7 1 1 A 52 52 GLU CB C 52 34.814 33.946 0.868 1
1 574 . 7 1 1 A 52 52 GLU N N 52 118.929 121.485 -2.556 1
1 575 . 7 1 1 A 53 53 GLU H H 53 8.995 8.590 0.405 1
1 576 . 7 1 1 A 53 53 GLU HA H 53 5.175 4.584 0.591 1
1 581 . 7 1 1 A 53 53 GLU C C 53 176.301 175.401 0.900 1
1 582 . 7 1 1 A 53 53 GLU CA C 53 55.500 56.258 -0.758 1
1 583 . 7 1 1 A 53 53 GLU CB C 53 30.537 30.043 0.494 1
1 585 . 7 1 1 A 53 53 GLU N N 53 122.819 124.311 -1.492 1
1 586 . 7 1 1 A 54 54 VAL H H 54 9.375 8.197 1.178 1
1 587 . 7 1 1 A 54 54 VAL HA H 54 4.739 4.736 0.003 1
1 595 . 7 1 1 A 54 54 VAL C C 54 175.017 175.029 -0.012 1
1 596 . 7 1 1 A 54 54 VAL CA C 54 59.647 60.618 -0.971 1
1 597 . 7 1 1 A 54 54 VAL CB C 54 36.171 35.896 0.275 1
1 600 . 7 1 1 A 54 54 VAL N N 54 125.177 126.794 -1.617 1
1 601 . 7 1 1 A 55 55 LEU H H 55 8.744 8.492 0.252 1
1 602 . 7 1 1 A 55 55 LEU HA H 55 4.500 4.435 0.065 1
1 612 . 7 1 1 A 55 55 LEU C C 55 179.440 178.581 0.859 1
1 613 . 7 1 1 A 55 55 LEU CA C 55 55.495 54.861 0.634 1
1 614 . 7 1 1 A 55 55 LEU CB C 55 42.628 42.183 0.445 1
1 618 . 7 1 1 A 55 55 LEU N N 55 123.920 125.643 -1.723 1
1 619 . 7 1 1 A 56 56 LEU H H 56 8.324 8.731 -0.407 1
1 620 . 7 1 1 A 56 56 LEU HA H 56 3.855 3.992 -0.137 1
1 630 . 7 1 1 A 56 56 LEU C C 56 178.810 178.685 0.125 1
1 631 . 7 1 1 A 56 56 LEU CA C 56 57.883 57.657 0.226 1
1 632 . 7 1 1 A 56 56 LEU CB C 56 41.330 41.553 -0.223 1
1 636 . 7 1 1 A 56 56 LEU N N 56 123.383 123.445 -0.062 1
1 637 . 7 1 1 A 57 57 SER H H 57 7.886 7.989 -0.103 1
1 638 . 7 1 1 A 57 57 SER HA H 57 4.364 4.462 -0.098 1
1 641 . 7 1 1 A 57 57 SER C C 57 174.944 175.373 -0.429 1
1 642 . 7 1 1 A 57 57 SER CA C 57 59.859 60.468 -0.609 1
1 643 . 7 1 1 A 57 57 SER CB C 57 62.509 62.793 -0.284 1
1 644 . 7 1 1 A 57 57 SER N N 57 109.927 114.478 -4.551 1
1 645 . 7 1 1 A 58 58 ASN H H 58 8.085 7.885 0.200 1
1 646 . 7 1 1 A 58 58 ASN HA H 58 5.275 5.040 0.235 1
1 651 . 7 1 1 A 58 58 ASN C C 58 172.402 173.689 -1.287 1
1 652 . 7 1 1 A 58 58 ASN CA C 58 52.535 53.185 -0.650 1
1 653 . 7 1 1 A 58 58 ASN CB C 58 39.585 39.157 0.428 1
1 654 . 7 1 1 A 58 58 ASN N N 58 120.812 117.183 3.629 1
1 656 . 7 1 1 A 59 59 ILE H H 59 7.291 7.296 -0.005 1
1 657 . 7 1 1 A 59 59 ILE HA H 59 5.125 5.108 0.017 1
1 667 . 7 1 1 A 59 59 ILE C C 59 174.980 174.514 0.466 1
1 668 . 7 1 1 A 59 59 ILE CA C 59 60.659 60.113 0.546 1
1 669 . 7 1 1 A 59 59 ILE CB C 59 39.996 39.522 0.474 1
1 673 . 7 1 1 A 59 59 ILE N N 59 115.444 121.540 -6.096 1
1 674 . 7 1 1 A 60 60 LYS H H 60 9.366 9.343 0.023 1
1 675 . 7 1 1 A 60 60 LYS HA H 60 5.300 4.913 0.387 1
1 684 . 7 1 1 A 60 60 LYS C C 60 173.381 174.487 -1.106 1
1 685 . 7 1 1 A 60 60 LYS CA C 60 52.977 52.582 0.395 1
1 686 . 7 1 1 A 60 60 LYS CB C 60 34.814 33.486 1.328 1
1 690 . 7 1 1 A 60 60 LYS N N 60 122.819 127.523 -4.704 1
1 691 . 7 1 1 A 61 61 PRO HA H 61 5.027 5.038 -0.011 1
1 698 . 7 1 1 A 61 61 PRO C C 61 176.256 177.065 -0.809 1
1 699 . 7 1 1 A 61 61 PRO CA C 61 62.754 63.154 -0.400 1
1 700 . 7 1 1 A 61 61 PRO CB C 61 32.594 32.062 0.532 1
1 703 . 7 1 1 A 62 62 VAL H H 62 8.525 8.535 -0.010 1
1 704 . 7 1 1 A 62 62 VAL HA H 62 3.969 4.179 -0.210 1
1 712 . 7 1 1 A 62 62 VAL C C 62 176.192 176.394 -0.202 1
1 713 . 7 1 1 A 62 62 VAL CA C 62 62.895 62.660 0.235 1
1 714 . 7 1 1 A 62 62 VAL CB C 62 32.059 32.218 -0.159 1
1 717 . 7 1 1 A 62 62 VAL N N 62 117.807 123.311 -5.504 1
1 718 . 7 1 1 A 63 63 GLN H H 63 7.815 8.293 -0.478 1
1 719 . 7 1 1 A 63 63 GLN HA H 63 4.415 4.224 0.191 1
1 726 . 7 1 1 A 63 63 GLN C C 63 175.716 176.109 -0.393 1
1 727 . 7 1 1 A 63 63 GLN CA C 63 55.535 57.325 -1.790 1
1 728 . 7 1 1 A 63 63 GLN CB C 63 29.468 28.758 0.710 1
1 730 . 7 1 1 A 63 63 GLN N N 63 122.188 124.812 -2.624 1
1 732 . 7 1 1 A 64 64 THR H H 64 8.185 8.165 0.020 1
1 733 . 7 1 1 A 64 64 THR HA H 64 4.154 4.439 -0.285 1
1 738 . 7 1 1 A 64 64 THR C C 64 174.616 174.769 -0.153 1
1 739 . 7 1 1 A 64 64 THR CA C 64 62.277 62.372 -0.095 1
1 740 . 7 1 1 A 64 64 THR CB C 64 69.565 69.587 -0.022 1
1 742 . 7 1 1 A 64 64 THR N N 64 116.169 117.489 -1.320 1
1 743 . 7 1 1 A 65 65 GLU H H 65 8.460 8.876 -0.416 1
1 744 . 7 1 1 A 65 65 GLU HA H 65 4.174 4.516 -0.342 1
1 749 . 7 1 1 A 65 65 GLU C C 65 176.216 176.719 -0.503 1
1 750 . 7 1 1 A 65 65 GLU CA C 65 56.647 55.966 0.681 1
1 751 . 7 1 1 A 65 65 GLU CB C 65 30.044 30.647 -0.603 1
1 753 . 7 1 1 A 65 65 GLU N N 65 123.014 124.339 -1.325 1
1 754 . 7 1 1 A 66 66 ALA H H 66 8.245 8.616 -0.371 1
1 755 . 7 1 1 A 66 66 ALA HA H 66 4.205 3.764 0.441 1
1 759 . 7 1 1 A 66 66 ALA C C 66 177.258 176.621 0.637 1
1 760 . 7 1 1 A 66 66 ALA CA C 66 52.730 53.003 -0.273 1
1 761 . 7 1 1 A 66 66 ALA CB C 66 19.064 17.709 1.355 1
1 762 . 7 1 1 A 66 66 ALA N N 66 124.251 120.836 3.415 1
1 763 . 7 1 1 A 67 67 TRP H H 67 7.875 7.832 0.043 1
1 764 . 7 1 1 A 67 67 TRP HA H 67 4.609 4.554 0.055 1
1 772 . 7 1 1 A 67 67 TRP C C 67 175.889 176.012 -0.123 1
1 773 . 7 1 1 A 67 67 TRP CA C 67 57.106 57.113 -0.007 1
1 774 . 7 1 1 A 67 67 TRP CB C 67 29.427 30.126 -0.699 1
1 779 . 7 1 1 A 67 67 TRP N N 67 119.568 115.974 3.594 1
1 781 . 7 1 1 A 68 68 VAL H H 68 7.815 8.234 -0.419 1
1 782 . 7 1 1 A 68 68 VAL HA H 68 3.917 3.967 -0.050 1
1 790 . 7 1 1 A 68 68 VAL C C 68 175.368 175.471 -0.103 1
1 791 . 7 1 1 A 68 68 VAL CA C 68 62.189 62.983 -0.794 1
1 792 . 7 1 1 A 68 68 VAL CB C 68 32.981 32.261 0.720 1
1 795 . 7 1 1 A 68 68 VAL N N 68 122.485 122.073 0.412 1
1 796 . 7 1 1 A 69 69 ARG H H 69 8.084 8.287 -0.203 1
1 797 . 7 1 1 A 69 69 ARG HA H 69 4.107 3.799 0.308 1
1 804 . 7 1 1 A 69 69 ARG C C 69 175.465 175.281 0.184 1
1 805 . 7 1 1 A 69 69 ARG CA C 69 55.841 56.444 -0.603 1
1 806 . 7 1 1 A 69 69 ARG CB C 69 30.949 30.547 0.402 1
1 809 . 7 1 1 A 69 69 ARG N N 69 124.540 129.975 -5.435 1
1 810 . 7 1 1 A 70 70 ASP H H 70 8.365 8.373 -0.008 1
1 811 . 7 1 1 A 70 70 ASP HA H 70 4.780 5.126 -0.346 1
1 814 . 7 1 1 A 70 70 ASP C C 70 175.319 174.315 1.004 1
1 815 . 7 1 1 A 70 70 ASP CA C 70 51.882 51.973 -0.091 1
1 816 . 7 1 1 A 70 70 ASP CB C 70 41.312 41.824 -0.512 1
1 817 . 7 1 1 A 70 70 ASP N N 70 123.498 124.513 -1.015 1
1 818 . 7 1 1 A 71 71 PRO HA H 71 4.355 4.736 -0.381 1
1 825 . 7 1 1 A 71 71 PRO C C 71 177.091 176.132 0.959 1
1 826 . 7 1 1 A 71 71 PRO CA C 71 63.777 62.752 1.025 1
1 827 . 7 1 1 A 71 71 PRO CB C 71 32.118 31.503 0.615 1
1 830 . 7 1 1 A 72 72 ASN H H 72 8.521 8.457 0.064 1
1 831 . 7 1 1 A 72 72 ASN HA H 72 4.764 5.634 -0.870 1
1 836 . 7 1 1 A 72 72 ASN C C 72 175.312 173.857 1.455 1
1 837 . 7 1 1 A 72 72 ASN CA C 72 53.471 51.574 1.897 1
1 838 . 7 1 1 A 72 72 ASN CB C 72 38.869 43.120 -4.251 1
1 839 . 7 1 1 A 72 72 ASN N N 72 117.256 116.321 0.935 1
1 841 . 7 1 1 A 73 73 SER H H 73 7.937 8.617 -0.680 1
1 842 . 7 1 1 A 73 73 SER HA H 73 4.429 5.362 -0.933 1
1 845 . 7 1 1 A 73 73 SER C C 73 174.532 173.141 1.391 1
1 846 . 7 1 1 A 73 73 SER CA C 73 58.642 57.126 1.516 1
1 847 . 7 1 1 A 73 73 SER CB C 73 64.137 65.715 -1.578 1
1 848 . 7 1 1 A 73 73 SER N N 73 115.503 113.299 2.204 1
1 849 . 7 1 1 A 74 74 GLY H H 74 8.206 8.558 -0.352 1
1 850 . 7 1 1 A 74 74 GLY HA2 H 74 4.071 4.241 -0.170 1
1 851 . 7 1 1 A 74 74 GLY HA3 H 74 4.123 4.245 -0.122 1
1 852 . 7 1 1 A 74 74 GLY C C 74 171.781 171.971 -0.190 1
1 853 . 7 1 1 A 74 74 GLY CA C 74 44.682 45.589 -0.907 1
1 854 . 7 1 1 A 74 74 GLY N N 74 110.659 110.521 0.138 1
1 855 . 7 1 1 A 75 75 PRO HA H 75 4.446 4.425 0.021 1
1 862 . 7 1 1 A 75 75 PRO C C 75 177.407 177.098 0.309 1
1 863 . 7 1 1 A 75 75 PRO CA C 75 63.212 63.136 0.076 1
1 864 . 7 1 1 A 75 75 PRO CB C 75 32.182 32.627 -0.445 1
1 867 . 7 1 1 A 76 76 SER H H 76 8.504 8.947 -0.443 1
1 868 . 7 1 1 A 76 76 SER HA H 76 4.489 4.205 0.284 1
1 871 . 7 1 1 A 76 76 SER C C 76 174.677 174.296 0.381 1
1 872 . 7 1 1 A 76 76 SER CA C 76 58.359 59.253 -0.894 1
1 873 . 7 1 1 A 76 76 SER CB C 76 64.013 62.830 1.183 1
1 874 . 7 1 1 A 76 76 SER N N 76 116.388 117.512 -1.124 1
1 875 . 7 1 1 A 77 77 SER H H 77 8.312 8.469 -0.157 1
1 876 . 7 1 1 A 77 77 SER C C 77 173.914 174.869 -0.955 1
1 877 . 7 1 1 A 77 77 SER CA C 77 58.342 59.596 -1.254 1
1 878 . 7 1 1 A 77 77 SER CB C 77 64.013 64.896 -0.883 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.892 4.192 -0.300 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.892 4.192 -0.300 1
1 3 . 8 1 1 A 7 7 GLY C C 7 173.405 171.059 2.346 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.070 45.562 -0.492 1
1 5 . 8 1 1 A 8 8 LYS H H 8 7.913 8.289 -0.376 1
1 6 . 8 1 1 A 8 8 LYS HA H 8 4.031 4.937 -0.906 1
1 15 . 8 1 1 A 8 8 LYS C C 8 175.501 174.309 1.192 1
1 16 . 8 1 1 A 8 8 LYS CA C 8 55.765 55.270 0.495 1
1 17 . 8 1 1 A 8 8 LYS CB C 8 33.046 35.759 -2.713 1
1 21 . 8 1 1 A 8 8 LYS N N 8 121.849 120.837 1.012 1
1 22 . 8 1 1 A 9 9 VAL H H 9 8.175 8.861 -0.686 1
1 23 . 8 1 1 A 9 9 VAL HA H 9 4.082 4.643 -0.561 1
1 31 . 8 1 1 A 9 9 VAL C C 9 175.680 175.222 0.458 1
1 32 . 8 1 1 A 9 9 VAL CA C 9 61.571 60.926 0.645 1
1 33 . 8 1 1 A 9 9 VAL CB C 9 32.224 33.870 -1.646 1
1 36 . 8 1 1 A 9 9 VAL N N 9 125.536 126.601 -1.065 1
1 37 . 8 1 1 A 10 10 TRP H H 10 8.125 8.886 -0.761 1
1 38 . 8 1 1 A 10 10 TRP HA H 10 4.667 5.102 -0.435 1
1 47 . 8 1 1 A 10 10 TRP C C 10 174.859 175.905 -1.046 1
1 48 . 8 1 1 A 10 10 TRP CA C 10 57.088 57.066 0.022 1
1 49 . 8 1 1 A 10 10 TRP CB C 10 31.730 31.131 0.599 1
1 55 . 8 1 1 A 10 10 TRP N N 10 127.817 129.167 -1.350 1
1 57 . 8 1 1 A 11 11 LYS H H 11 9.090 9.170 -0.080 1
1 58 . 8 1 1 A 11 11 LYS HA H 11 4.856 4.940 -0.084 1
1 67 . 8 1 1 A 11 11 LYS C C 11 172.968 173.434 -0.466 1
1 68 . 8 1 1 A 11 11 LYS CA C 11 53.330 54.574 -1.244 1
1 69 . 8 1 1 A 11 11 LYS CB C 11 33.827 35.832 -2.005 1
1 73 . 8 1 1 A 11 11 LYS N N 11 120.688 118.801 1.887 1
1 74 . 8 1 1 A 12 12 PRO HA H 12 3.894 4.634 -0.740 1
1 81 . 8 1 1 A 12 12 PRO C C 12 177.287 177.562 -0.275 1
1 82 . 8 1 1 A 12 12 PRO CA C 12 63.812 63.665 0.147 1
1 83 . 8 1 1 A 12 12 PRO CB C 12 31.278 31.258 0.020 1
1 86 . 8 1 1 A 13 13 GLY H H 13 9.494 8.648 0.846 1
1 87 . 8 1 1 A 13 13 GLY HA2 H 13 4.431 4.082 0.349 1
1 88 . 8 1 1 A 13 13 GLY HA3 H 13 3.746 4.087 -0.341 1
1 89 . 8 1 1 A 13 13 GLY C C 13 174.798 173.538 1.260 1
1 90 . 8 1 1 A 13 13 GLY CA C 13 44.559 45.188 -0.629 1
1 91 . 8 1 1 A 13 13 GLY N N 13 114.764 112.736 2.028 1
1 92 . 8 1 1 A 14 14 ASP H H 14 8.005 8.039 -0.034 1
1 93 . 8 1 1 A 14 14 ASP HA H 14 4.665 4.913 -0.248 1
1 96 . 8 1 1 A 14 14 ASP C C 14 176.143 175.549 0.594 1
1 97 . 8 1 1 A 14 14 ASP CA C 14 55.553 53.452 2.101 1
1 98 . 8 1 1 A 14 14 ASP CB C 14 41.600 43.423 -1.823 1
1 99 . 8 1 1 A 14 14 ASP N N 14 121.257 120.288 0.969 1
1 100 . 8 1 1 A 15 15 GLU H H 15 8.645 8.742 -0.097 1
1 101 . 8 1 1 A 15 15 GLU HA H 15 4.852 4.468 0.384 1
1 106 . 8 1 1 A 15 15 GLU C C 15 175.679 176.425 -0.746 1
1 107 . 8 1 1 A 15 15 GLU CA C 15 55.783 56.703 -0.920 1
1 108 . 8 1 1 A 15 15 GLU CB C 15 31.295 29.940 1.355 1
1 110 . 8 1 1 A 15 15 GLU N N 15 121.409 125.196 -3.787 1
1 111 . 8 1 1 A 16 16 CYS H H 16 8.735 9.212 -0.477 1
1 112 . 8 1 1 A 16 16 CYS HA H 16 5.086 5.137 -0.051 1
1 115 . 8 1 1 A 16 16 CYS C C 16 172.636 172.954 -0.318 1
1 116 . 8 1 1 A 16 16 CYS CA C 16 56.418 56.572 -0.154 1
1 117 . 8 1 1 A 16 16 CYS CB C 16 32.553 31.200 1.353 1
1 118 . 8 1 1 A 16 16 CYS N N 16 116.207 120.666 -4.459 1
1 119 . 8 1 1 A 17 17 PHE H H 17 9.125 9.086 0.039 1
1 120 . 8 1 1 A 17 17 PHE HA H 17 5.235 5.475 -0.240 1
1 128 . 8 1 1 A 17 17 PHE C C 17 174.823 175.239 -0.416 1
1 129 . 8 1 1 A 17 17 PHE CA C 17 57.547 57.217 0.330 1
1 130 . 8 1 1 A 17 17 PHE CB C 17 42.053 40.176 1.877 1
1 136 . 8 1 1 A 17 17 PHE N N 17 116.836 120.559 -3.723 1
1 137 . 8 1 1 A 18 18 ALA H H 18 9.373 9.339 0.034 1
1 138 . 8 1 1 A 18 18 ALA HA H 18 5.552 5.441 0.111 1
1 142 . 8 1 1 A 18 18 ALA C C 18 175.841 175.946 -0.105 1
1 143 . 8 1 1 A 18 18 ALA CA C 18 50.147 50.001 0.146 1
1 144 . 8 1 1 A 18 18 ALA CB C 18 23.798 22.053 1.745 1
1 145 . 8 1 1 A 18 18 ALA N N 18 122.751 127.446 -4.695 1
1 146 . 8 1 1 A 19 19 LEU H H 19 7.487 8.141 -0.654 1
1 147 . 8 1 1 A 19 19 LEU HA H 19 3.514 4.909 -1.395 1
1 157 . 8 1 1 A 19 19 LEU C C 19 175.598 176.697 -1.099 1
1 158 . 8 1 1 A 19 19 LEU CA C 19 55.165 54.823 0.342 1
1 159 . 8 1 1 A 19 19 LEU CB C 19 43.656 43.284 0.372 1
1 163 . 8 1 1 A 19 19 LEU N N 19 123.529 124.947 -1.418 1
1 164 . 8 1 1 A 20 20 TYR H H 20 9.405 8.663 0.742 1
1 165 . 8 1 1 A 20 20 TYR HA H 20 4.939 4.962 -0.023 1
1 172 . 8 1 1 A 20 20 TYR C C 20 176.593 177.194 -0.601 1
1 173 . 8 1 1 A 20 20 TYR CA C 20 55.201 58.927 -3.726 1
1 174 . 8 1 1 A 20 20 TYR CB C 20 37.899 39.557 -1.658 1
1 179 . 8 1 1 A 20 20 TYR N N 20 132.207 126.905 5.302 1
1 180 . 8 1 1 A 21 21 TRP H H 21 8.475 7.857 0.618 1
1 181 . 8 1 1 A 21 21 TRP HA H 21 4.087 4.632 -0.545 1
1 190 . 8 1 1 A 21 21 TRP C C 21 177.283 176.561 0.722 1
1 191 . 8 1 1 A 21 21 TRP CA C 21 58.695 57.253 1.442 1
1 192 . 8 1 1 A 21 21 TRP CB C 21 28.111 30.144 -2.033 1
1 198 . 8 1 1 A 21 21 TRP N N 21 128.228 125.796 2.432 1
1 200 . 8 1 1 A 22 22 GLU H H 22 4.195 7.213 -3.018 1
1 201 . 8 1 1 A 22 22 GLU HA H 22 2.895 4.205 -1.310 1
1 206 . 8 1 1 A 22 22 GLU C C 22 176.342 176.763 -0.421 1
1 207 . 8 1 1 A 22 22 GLU CA C 22 59.753 56.242 3.511 1
1 208 . 8 1 1 A 22 22 GLU CB C 22 29.468 30.828 -1.360 1
1 210 . 8 1 1 A 22 22 GLU N N 22 117.591 118.725 -1.134 1
1 211 . 8 1 1 A 23 23 ASP H H 23 6.695 7.863 -1.168 1
1 212 . 8 1 1 A 23 23 ASP HA H 23 4.554 4.779 -0.225 1
1 215 . 8 1 1 A 23 23 ASP C C 23 176.047 175.617 0.430 1
1 216 . 8 1 1 A 23 23 ASP CA C 23 51.970 53.930 -1.960 1
1 217 . 8 1 1 A 23 23 ASP CB C 23 41.353 43.083 -1.730 1
1 218 . 8 1 1 A 23 23 ASP N N 23 112.180 116.411 -4.231 1
1 219 . 8 1 1 A 24 24 ASN H H 24 8.248 8.020 0.228 1
1 220 . 8 1 1 A 24 24 ASN HA H 24 4.055 4.486 -0.431 1
1 225 . 8 1 1 A 24 24 ASN C C 24 173.702 173.590 0.112 1
1 226 . 8 1 1 A 24 24 ASN CA C 24 54.794 54.405 0.389 1
1 227 . 8 1 1 A 24 24 ASN CB C 24 37.940 36.778 1.162 1
1 228 . 8 1 1 A 24 24 ASN N N 24 116.693 115.227 1.466 1
1 230 . 8 1 1 A 25 25 LYS H H 25 7.604 7.535 0.069 1
1 231 . 8 1 1 A 25 25 LYS HA H 25 4.502 4.495 0.007 1
1 240 . 8 1 1 A 25 25 LYS C C 25 174.726 175.335 -0.609 1
1 241 . 8 1 1 A 25 25 LYS CA C 25 54.565 54.277 0.288 1
1 242 . 8 1 1 A 25 25 LYS CB C 25 35.143 34.149 0.994 1
1 246 . 8 1 1 A 25 25 LYS N N 25 116.646 117.375 -0.729 1
1 247 . 8 1 1 A 26 26 PHE H H 26 8.361 8.436 -0.075 1
1 248 . 8 1 1 A 26 26 PHE HA H 26 5.005 4.677 0.328 1
1 256 . 8 1 1 A 26 26 PHE C C 26 176.228 175.593 0.635 1
1 257 . 8 1 1 A 26 26 PHE CA C 26 58.236 58.554 -0.318 1
1 258 . 8 1 1 A 26 26 PHE CB C 26 41.148 39.558 1.590 1
1 264 . 8 1 1 A 26 26 PHE N N 26 118.446 120.098 -1.652 1
1 265 . 8 1 1 A 27 27 TYR H H 27 8.851 9.082 -0.231 1
1 266 . 8 1 1 A 27 27 TYR HA H 27 5.045 5.199 -0.154 1
1 273 . 8 1 1 A 27 27 TYR C C 27 175.380 175.073 0.307 1
1 274 . 8 1 1 A 27 27 TYR CA C 27 56.594 56.481 0.113 1
1 275 . 8 1 1 A 27 27 TYR CB C 27 43.856 42.242 1.614 1
1 280 . 8 1 1 A 27 27 TYR N N 27 118.823 122.169 -3.346 1
1 281 . 8 1 1 A 28 28 ARG H H 28 9.026 8.513 0.513 1
1 282 . 8 1 1 A 28 28 ARG HA H 28 4.202 3.399 0.803 1
1 290 . 8 1 1 A 28 28 ARG C C 28 175.789 175.526 0.263 1
1 291 . 8 1 1 A 28 28 ARG CA C 28 57.142 56.790 0.352 1
1 292 . 8 1 1 A 28 28 ARG CB C 28 30.291 30.783 -0.492 1
1 295 . 8 1 1 A 28 28 ARG N N 28 122.262 124.242 -1.980 1
1 297 . 8 1 1 A 29 29 ALA H H 29 9.157 8.874 0.283 1
1 298 . 8 1 1 A 29 29 ALA HA H 29 5.098 5.048 0.050 1
1 302 . 8 1 1 A 29 29 ALA C C 29 175.247 174.906 0.341 1
1 303 . 8 1 1 A 29 29 ALA CA C 29 51.188 51.146 0.042 1
1 304 . 8 1 1 A 29 29 ALA CB C 29 23.153 23.203 -0.050 1
1 305 . 8 1 1 A 29 29 ALA N N 29 126.768 127.550 -0.782 1
1 306 . 8 1 1 A 30 30 GLU H H 30 8.167 8.607 -0.440 1
1 307 . 8 1 1 A 30 30 GLU HA H 30 5.085 4.682 0.403 1
1 312 . 8 1 1 A 30 30 GLU C C 30 176.265 175.056 1.209 1
1 313 . 8 1 1 A 30 30 GLU CA C 30 53.948 55.403 -1.455 1
1 314 . 8 1 1 A 30 30 GLU CB C 30 33.622 33.159 0.463 1
1 316 . 8 1 1 A 30 30 GLU N N 30 118.036 118.283 -0.247 1
1 317 . 8 1 1 A 31 31 VAL H H 31 8.961 8.677 0.284 1
1 318 . 8 1 1 A 31 31 VAL HA H 31 3.545 3.930 -0.385 1
1 326 . 8 1 1 A 31 31 VAL C C 31 175.369 175.761 -0.392 1
1 327 . 8 1 1 A 31 31 VAL CA C 31 64.571 63.555 1.016 1
1 328 . 8 1 1 A 31 31 VAL CB C 31 31.678 31.281 0.397 1
1 331 . 8 1 1 A 31 31 VAL N N 31 124.010 127.294 -3.284 1
1 332 . 8 1 1 A 32 32 GLU H H 32 9.483 9.443 0.040 1
1 333 . 8 1 1 A 32 32 GLU HA H 32 4.627 4.370 0.257 1
1 338 . 8 1 1 A 32 32 GLU C C 32 175.695 176.108 -0.413 1
1 339 . 8 1 1 A 32 32 GLU CA C 32 56.841 58.258 -1.417 1
1 340 . 8 1 1 A 32 32 GLU CB C 32 30.661 30.708 -0.047 1
1 342 . 8 1 1 A 32 32 GLU N N 32 130.912 129.560 1.352 1
1 343 . 8 1 1 A 33 33 ALA H H 33 7.838 7.748 0.090 1
1 344 . 8 1 1 A 33 33 ALA HA H 33 4.456 4.721 -0.265 1
1 348 . 8 1 1 A 33 33 ALA C C 33 174.956 175.725 -0.769 1
1 349 . 8 1 1 A 33 33 ALA CA C 33 51.777 51.661 0.116 1
1 350 . 8 1 1 A 33 33 ALA CB C 33 22.189 22.733 -0.544 1
1 351 . 8 1 1 A 33 33 ALA N N 33 117.714 119.236 -1.522 1
1 352 . 8 1 1 A 34 34 LEU H H 34 8.954 8.832 0.122 1
1 353 . 8 1 1 A 34 34 LEU HA H 34 4.702 4.963 -0.261 1
1 363 . 8 1 1 A 34 34 LEU C C 34 176.325 176.393 -0.068 1
1 364 . 8 1 1 A 34 34 LEU CA C 34 53.559 53.665 -0.106 1
1 365 . 8 1 1 A 34 34 LEU CB C 34 42.381 43.727 -1.346 1
1 369 . 8 1 1 A 34 34 LEU N N 34 122.418 122.140 0.278 1
1 370 . 8 1 1 A 35 35 HIS H H 35 8.022 8.736 -0.714 1
1 371 . 8 1 1 A 35 35 HIS HA H 35 4.544 4.889 -0.345 1
1 376 . 8 1 1 A 35 35 HIS C C 35 178.300 175.832 2.468 1
1 377 . 8 1 1 A 35 35 HIS CA C 35 57.706 55.522 2.184 1
1 378 . 8 1 1 A 35 35 HIS CB C 35 32.594 31.562 1.032 1
1 381 . 8 1 1 A 35 35 HIS N N 35 123.729 122.671 1.058 1
1 382 . 8 1 1 A 37 37 SER H H 37 10.111 7.706 2.405 1
1 383 . 8 1 1 A 37 37 SER HA H 37 4.339 4.253 0.086 1
1 386 . 8 1 1 A 37 37 SER C C 37 176.434 174.624 1.810 1
1 387 . 8 1 1 A 37 37 SER CA C 37 59.895 60.901 -1.006 1
1 388 . 8 1 1 A 37 37 SER CB C 37 63.665 63.878 -0.213 1
1 389 . 8 1 1 A 37 37 SER N N 37 119.788 115.398 4.390 1
1 390 . 8 1 1 A 38 38 GLY H H 38 8.136 8.068 0.068 1
1 391 . 8 1 1 A 38 38 GLY HA2 H 38 4.257 4.110 0.147 1
1 392 . 8 1 1 A 38 38 GLY HA3 H 38 3.981 4.133 -0.152 1
1 393 . 8 1 1 A 38 38 GLY C C 38 174.441 174.616 -0.175 1
1 394 . 8 1 1 A 38 38 GLY CA C 38 46.006 45.493 0.513 1
1 395 . 8 1 1 A 38 38 GLY N N 38 108.557 108.568 -0.011 1
1 396 . 8 1 1 A 39 39 MET H H 39 8.180 8.190 -0.010 1
1 397 . 8 1 1 A 39 39 MET HA H 39 4.789 4.664 0.125 1
1 405 . 8 1 1 A 39 39 MET C C 39 177.404 176.143 1.261 1
1 406 . 8 1 1 A 39 39 MET CA C 39 55.889 56.567 -0.678 1
1 407 . 8 1 1 A 39 39 MET CB C 39 34.033 35.407 -1.374 1
1 410 . 8 1 1 A 39 39 MET N N 39 113.829 116.220 -2.391 1
1 411 . 8 1 1 A 40 40 THR H H 40 7.174 8.168 -0.994 1
1 412 . 8 1 1 A 40 40 THR HA H 40 5.182 5.088 0.094 1
1 417 . 8 1 1 A 40 40 THR C C 40 172.981 173.074 -0.093 1
1 418 . 8 1 1 A 40 40 THR CA C 40 59.559 60.073 -0.514 1
1 419 . 8 1 1 A 40 40 THR CB C 40 73.120 72.255 0.865 1
1 421 . 8 1 1 A 40 40 THR N N 40 108.160 109.101 -0.941 1
1 422 . 8 1 1 A 41 41 ALA H H 41 9.245 8.241 1.004 1
1 423 . 8 1 1 A 41 41 ALA HA H 41 4.932 4.963 -0.031 1
1 427 . 8 1 1 A 41 41 ALA C C 41 175.635 176.163 -0.528 1
1 428 . 8 1 1 A 41 41 ALA CA C 41 50.417 51.409 -0.992 1
1 429 . 8 1 1 A 41 41 ALA CB C 41 22.600 23.407 -0.807 1
1 430 . 8 1 1 A 41 41 ALA N N 41 122.138 122.080 0.058 1
1 431 . 8 1 1 A 42 42 VAL H H 42 8.773 9.112 -0.339 1
1 432 . 8 1 1 A 42 42 VAL HA H 42 4.789 4.597 0.192 1
1 440 . 8 1 1 A 42 42 VAL C C 42 176.410 175.603 0.807 1
1 441 . 8 1 1 A 42 42 VAL CA C 42 62.083 61.820 0.263 1
1 442 . 8 1 1 A 42 42 VAL CB C 42 32.776 32.399 0.377 1
1 445 . 8 1 1 A 42 42 VAL N N 42 120.320 119.326 0.994 1
1 446 . 8 1 1 A 43 43 VAL H H 43 9.224 8.560 0.664 1
1 447 . 8 1 1 A 43 43 VAL HA H 43 5.013 5.115 -0.102 1
1 455 . 8 1 1 A 43 43 VAL C C 43 172.532 173.523 -0.991 1
1 456 . 8 1 1 A 43 43 VAL CA C 43 57.812 58.794 -0.982 1
1 457 . 8 1 1 A 43 43 VAL CB C 43 34.280 34.538 -0.258 1
1 460 . 8 1 1 A 43 43 VAL N N 43 121.151 121.500 -0.349 1
1 461 . 8 1 1 A 44 44 LYS H H 44 8.645 8.839 -0.194 1
1 462 . 8 1 1 A 44 44 LYS HA H 44 4.627 4.873 -0.246 1
1 471 . 8 1 1 A 44 44 LYS C C 44 177.419 175.285 2.134 1
1 472 . 8 1 1 A 44 44 LYS CA C 44 53.612 54.337 -0.725 1
1 473 . 8 1 1 A 44 44 LYS CB C 44 35.143 35.412 -0.269 1
1 477 . 8 1 1 A 44 44 LYS N N 44 121.425 122.269 -0.844 1
1 478 . 8 1 1 A 45 45 PHE H H 45 8.823 9.118 -0.295 1
1 479 . 8 1 1 A 45 45 PHE HA H 45 4.505 4.582 -0.077 1
1 487 . 8 1 1 A 45 45 PHE C C 45 177.585 176.470 1.115 1
1 488 . 8 1 1 A 45 45 PHE CA C 45 59.841 58.471 1.370 1
1 489 . 8 1 1 A 45 45 PHE CB C 45 38.598 39.281 -0.683 1
1 495 . 8 1 1 A 45 45 PHE N N 45 128.232 125.824 2.408 1
1 496 . 8 1 1 A 46 46 THR H H 46 8.281 8.650 -0.369 1
1 497 . 8 1 1 A 46 46 THR HA H 46 3.738 3.991 -0.253 1
1 502 . 8 1 1 A 46 46 THR C C 46 176.410 175.535 0.875 1
1 503 . 8 1 1 A 46 46 THR CA C 46 65.930 65.545 0.385 1
1 504 . 8 1 1 A 46 46 THR CB C 46 68.743 68.814 -0.071 1
1 506 . 8 1 1 A 46 46 THR N N 46 120.729 120.647 0.082 1
1 507 . 8 1 1 A 47 47 ASP H H 47 9.166 8.151 1.015 1
1 508 . 8 1 1 A 47 47 ASP HA H 47 4.300 4.009 0.291 1
1 511 . 8 1 1 A 47 47 ASP C C 47 176.844 177.294 -0.450 1
1 512 . 8 1 1 A 47 47 ASP CA C 47 57.283 57.071 0.212 1
1 513 . 8 1 1 A 47 47 ASP CB C 47 40.037 40.557 -0.520 1
1 514 . 8 1 1 A 47 47 ASP N N 47 120.635 121.642 -1.007 1
1 515 . 8 1 1 A 48 48 TYR H H 48 7.676 7.567 0.109 1
1 516 . 8 1 1 A 48 48 TYR HA H 48 4.605 4.647 -0.042 1
1 523 . 8 1 1 A 48 48 TYR C C 48 177.343 176.066 1.277 1
1 524 . 8 1 1 A 48 48 TYR CA C 48 57.777 58.328 -0.551 1
1 525 . 8 1 1 A 48 48 TYR CB C 48 39.914 40.588 -0.674 1
1 530 . 8 1 1 A 48 48 TYR N N 48 114.763 114.140 0.623 1
1 531 . 8 1 1 A 49 49 GLY H H 49 8.065 8.031 0.034 1
1 532 . 8 1 1 A 49 49 GLY HA2 H 49 4.023 4.006 0.017 1
1 533 . 8 1 1 A 49 49 GLY HA3 H 49 3.571 4.027 -0.456 1
1 534 . 8 1 1 A 49 49 GLY C C 49 172.707 174.181 -1.474 1
1 535 . 8 1 1 A 49 49 GLY CA C 49 46.165 45.251 0.914 1
1 536 . 8 1 1 A 49 49 GLY N N 49 107.679 107.267 0.412 1
1 537 . 8 1 1 A 50 50 ASN H H 50 8.836 8.089 0.747 1
1 538 . 8 1 1 A 50 50 ASN HA H 50 4.777 5.193 -0.416 1
1 543 . 8 1 1 A 50 50 ASN C C 50 173.696 173.509 0.187 1
1 544 . 8 1 1 A 50 50 ASN CA C 50 52.747 51.455 1.292 1
1 545 . 8 1 1 A 50 50 ASN CB C 50 37.710 41.151 -3.441 1
1 546 . 8 1 1 A 50 50 ASN N N 50 114.795 116.294 -1.499 1
1 548 . 8 1 1 A 51 51 TYR H H 51 8.726 8.782 -0.056 1
1 549 . 8 1 1 A 51 51 TYR HA H 51 5.696 5.191 0.505 1
1 556 . 8 1 1 A 51 51 TYR C C 51 176.871 175.643 1.228 1
1 557 . 8 1 1 A 51 51 TYR CA C 51 56.789 58.157 -1.368 1
1 558 . 8 1 1 A 51 51 TYR CB C 51 40.037 40.081 -0.044 1
1 563 . 8 1 1 A 51 51 TYR N N 51 120.703 121.690 -0.987 1
1 564 . 8 1 1 A 52 52 GLU H H 52 8.995 9.287 -0.292 1
1 565 . 8 1 1 A 52 52 GLU HA H 52 4.981 5.024 -0.043 1
1 570 . 8 1 1 A 52 52 GLU C C 52 174.629 175.121 -0.492 1
1 571 . 8 1 1 A 52 52 GLU CA C 52 54.070 55.265 -1.195 1
1 572 . 8 1 1 A 52 52 GLU CB C 52 34.814 33.747 1.067 1
1 574 . 8 1 1 A 52 52 GLU N N 52 118.929 121.808 -2.879 1
1 575 . 8 1 1 A 53 53 GLU H H 53 8.995 8.812 0.183 1
1 576 . 8 1 1 A 53 53 GLU HA H 53 5.175 4.746 0.429 1
1 581 . 8 1 1 A 53 53 GLU C C 53 176.301 175.381 0.920 1
1 582 . 8 1 1 A 53 53 GLU CA C 53 55.500 56.674 -1.174 1
1 583 . 8 1 1 A 53 53 GLU CB C 53 30.537 30.307 0.230 1
1 585 . 8 1 1 A 53 53 GLU N N 53 122.819 125.574 -2.755 1
1 586 . 8 1 1 A 54 54 VAL H H 54 9.375 8.418 0.957 1
1 587 . 8 1 1 A 54 54 VAL HA H 54 4.739 4.705 0.034 1
1 595 . 8 1 1 A 54 54 VAL C C 54 175.017 175.208 -0.191 1
1 596 . 8 1 1 A 54 54 VAL CA C 54 59.647 60.682 -1.035 1
1 597 . 8 1 1 A 54 54 VAL CB C 54 36.171 36.004 0.167 1
1 600 . 8 1 1 A 54 54 VAL N N 54 125.177 127.071 -1.894 1
1 601 . 8 1 1 A 55 55 LEU H H 55 8.744 8.487 0.257 1
1 602 . 8 1 1 A 55 55 LEU HA H 55 4.500 4.372 0.128 1
1 612 . 8 1 1 A 55 55 LEU C C 55 179.440 178.501 0.939 1
1 613 . 8 1 1 A 55 55 LEU CA C 55 55.495 55.236 0.259 1
1 614 . 8 1 1 A 55 55 LEU CB C 55 42.628 41.957 0.671 1
1 618 . 8 1 1 A 55 55 LEU N N 55 123.920 126.491 -2.571 1
1 619 . 8 1 1 A 56 56 LEU H H 56 8.324 8.563 -0.239 1
1 620 . 8 1 1 A 56 56 LEU HA H 56 3.855 4.056 -0.201 1
1 630 . 8 1 1 A 56 56 LEU C C 56 178.810 178.635 0.175 1
1 631 . 8 1 1 A 56 56 LEU CA C 56 57.883 57.757 0.126 1
1 632 . 8 1 1 A 56 56 LEU CB C 56 41.330 41.355 -0.025 1
1 636 . 8 1 1 A 56 56 LEU N N 56 123.383 123.125 0.258 1
1 637 . 8 1 1 A 57 57 SER H H 57 7.886 8.260 -0.374 1
1 638 . 8 1 1 A 57 57 SER HA H 57 4.364 4.455 -0.091 1
1 641 . 8 1 1 A 57 57 SER C C 57 174.944 175.347 -0.403 1
1 642 . 8 1 1 A 57 57 SER CA C 57 59.859 60.299 -0.440 1
1 643 . 8 1 1 A 57 57 SER CB C 57 62.509 62.741 -0.232 1
1 644 . 8 1 1 A 57 57 SER N N 57 109.927 114.212 -4.285 1
1 645 . 8 1 1 A 58 58 ASN H H 58 8.085 8.332 -0.247 1
1 646 . 8 1 1 A 58 58 ASN HA H 58 5.275 5.121 0.154 1
1 651 . 8 1 1 A 58 58 ASN C C 58 172.402 173.717 -1.315 1
1 652 . 8 1 1 A 58 58 ASN CA C 58 52.535 53.144 -0.609 1
1 653 . 8 1 1 A 58 58 ASN CB C 58 39.585 39.408 0.177 1
1 654 . 8 1 1 A 58 58 ASN N N 58 120.812 117.189 3.623 1
1 656 . 8 1 1 A 59 59 ILE H H 59 7.291 7.352 -0.061 1
1 657 . 8 1 1 A 59 59 ILE HA H 59 5.125 5.294 -0.169 1
1 667 . 8 1 1 A 59 59 ILE C C 59 174.980 175.042 -0.062 1
1 668 . 8 1 1 A 59 59 ILE CA C 59 60.659 59.831 0.828 1
1 669 . 8 1 1 A 59 59 ILE CB C 59 39.996 41.507 -1.511 1
1 673 . 8 1 1 A 59 59 ILE N N 59 115.444 120.847 -5.403 1
1 674 . 8 1 1 A 60 60 LYS H H 60 9.366 8.680 0.686 1
1 675 . 8 1 1 A 60 60 LYS HA H 60 5.300 5.041 0.259 1
1 684 . 8 1 1 A 60 60 LYS C C 60 173.381 174.396 -1.015 1
1 685 . 8 1 1 A 60 60 LYS CA C 60 52.977 52.905 0.072 1
1 686 . 8 1 1 A 60 60 LYS CB C 60 34.814 34.611 0.203 1
1 690 . 8 1 1 A 60 60 LYS N N 60 122.819 126.044 -3.225 1
1 691 . 8 1 1 A 61 61 PRO HA H 61 5.027 5.109 -0.082 1
1 698 . 8 1 1 A 61 61 PRO C C 61 176.256 176.187 0.069 1
1 699 . 8 1 1 A 61 61 PRO CA C 61 62.754 63.088 -0.334 1
1 700 . 8 1 1 A 61 61 PRO CB C 61 32.594 31.942 0.652 1
1 703 . 8 1 1 A 62 62 VAL H H 62 8.525 8.583 -0.058 1
1 704 . 8 1 1 A 62 62 VAL HA H 62 3.969 4.607 -0.638 1
1 712 . 8 1 1 A 62 62 VAL C C 62 176.192 175.460 0.732 1
1 713 . 8 1 1 A 62 62 VAL CA C 62 62.895 60.520 2.375 1
1 714 . 8 1 1 A 62 62 VAL CB C 62 32.059 34.035 -1.976 1
1 717 . 8 1 1 A 62 62 VAL N N 62 117.807 122.679 -4.872 1
1 718 . 8 1 1 A 63 63 GLN H H 63 7.815 8.404 -0.589 1
1 719 . 8 1 1 A 63 63 GLN HA H 63 4.415 4.243 0.172 1
1 726 . 8 1 1 A 63 63 GLN C C 63 175.716 175.200 0.516 1
1 727 . 8 1 1 A 63 63 GLN CA C 63 55.535 55.422 0.113 1
1 728 . 8 1 1 A 63 63 GLN CB C 63 29.468 29.100 0.368 1
1 730 . 8 1 1 A 63 63 GLN N N 63 122.188 125.268 -3.080 1
1 732 . 8 1 1 A 64 64 THR H H 64 8.185 8.485 -0.300 1
1 733 . 8 1 1 A 64 64 THR HA H 64 4.154 4.755 -0.601 1
1 738 . 8 1 1 A 64 64 THR C C 64 174.616 174.563 0.053 1
1 739 . 8 1 1 A 64 64 THR CA C 64 62.277 62.225 0.052 1
1 740 . 8 1 1 A 64 64 THR CB C 64 69.565 70.169 -0.604 1
1 742 . 8 1 1 A 64 64 THR N N 64 116.169 116.709 -0.540 1
1 743 . 8 1 1 A 65 65 GLU H H 65 8.460 8.824 -0.364 1
1 744 . 8 1 1 A 65 65 GLU HA H 65 4.174 4.591 -0.417 1
1 749 . 8 1 1 A 65 65 GLU C C 65 176.216 176.456 -0.240 1
1 750 . 8 1 1 A 65 65 GLU CA C 65 56.647 56.290 0.357 1
1 751 . 8 1 1 A 65 65 GLU CB C 65 30.044 28.238 1.806 1
1 753 . 8 1 1 A 65 65 GLU N N 65 123.014 127.002 -3.988 1
1 754 . 8 1 1 A 66 66 ALA H H 66 8.245 8.401 -0.156 1
1 755 . 8 1 1 A 66 66 ALA HA H 66 4.205 4.691 -0.486 1
1 759 . 8 1 1 A 66 66 ALA C C 66 177.258 176.917 0.341 1
1 760 . 8 1 1 A 66 66 ALA CA C 66 52.730 50.911 1.819 1
1 761 . 8 1 1 A 66 66 ALA CB C 66 19.064 19.359 -0.295 1
1 762 . 8 1 1 A 66 66 ALA N N 66 124.251 126.168 -1.917 1
1 763 . 8 1 1 A 67 67 TRP H H 67 7.875 7.996 -0.121 1
1 764 . 8 1 1 A 67 67 TRP HA H 67 4.609 4.576 0.033 1
1 772 . 8 1 1 A 67 67 TRP C C 67 175.889 176.043 -0.154 1
1 773 . 8 1 1 A 67 67 TRP CA C 67 57.106 58.255 -1.149 1
1 774 . 8 1 1 A 67 67 TRP CB C 67 29.427 30.230 -0.803 1
1 779 . 8 1 1 A 67 67 TRP N N 67 119.568 121.013 -1.445 1
1 781 . 8 1 1 A 68 68 VAL H H 68 7.815 8.335 -0.520 1
1 782 . 8 1 1 A 68 68 VAL HA H 68 3.917 4.045 -0.128 1
1 790 . 8 1 1 A 68 68 VAL C C 68 175.368 175.653 -0.285 1
1 791 . 8 1 1 A 68 68 VAL CA C 68 62.189 62.975 -0.786 1
1 792 . 8 1 1 A 68 68 VAL CB C 68 32.981 31.979 1.002 1
1 795 . 8 1 1 A 68 68 VAL N N 68 122.485 121.408 1.077 1
1 796 . 8 1 1 A 69 69 ARG H H 69 8.084 8.711 -0.627 1
1 797 . 8 1 1 A 69 69 ARG HA H 69 4.107 4.401 -0.294 1
1 804 . 8 1 1 A 69 69 ARG C C 69 175.465 174.918 0.547 1
1 805 . 8 1 1 A 69 69 ARG CA C 69 55.841 56.872 -1.031 1
1 806 . 8 1 1 A 69 69 ARG CB C 69 30.949 30.308 0.641 1
1 809 . 8 1 1 A 69 69 ARG N N 69 124.540 127.474 -2.934 1
1 810 . 8 1 1 A 70 70 ASP H H 70 8.365 8.738 -0.373 1
1 811 . 8 1 1 A 70 70 ASP HA H 70 4.780 5.305 -0.525 1
1 814 . 8 1 1 A 70 70 ASP C C 70 175.319 174.149 1.170 1
1 815 . 8 1 1 A 70 70 ASP CA C 70 51.882 50.634 1.248 1
1 816 . 8 1 1 A 70 70 ASP CB C 70 41.312 41.610 -0.298 1
1 817 . 8 1 1 A 70 70 ASP N N 70 123.498 126.999 -3.501 1
1 818 . 8 1 1 A 71 71 PRO HA H 71 4.355 4.765 -0.410 1
1 825 . 8 1 1 A 71 71 PRO C C 71 177.091 175.937 1.154 1
1 826 . 8 1 1 A 71 71 PRO CA C 71 63.777 62.508 1.269 1
1 827 . 8 1 1 A 71 71 PRO CB C 71 32.118 30.980 1.138 1
1 830 . 8 1 1 A 72 72 ASN H H 72 8.521 8.756 -0.235 1
1 831 . 8 1 1 A 72 72 ASN HA H 72 4.764 5.296 -0.532 1
1 836 . 8 1 1 A 72 72 ASN C C 72 175.312 175.020 0.292 1
1 837 . 8 1 1 A 72 72 ASN CA C 72 53.471 51.928 1.543 1
1 838 . 8 1 1 A 72 72 ASN CB C 72 38.869 40.803 -1.934 1
1 839 . 8 1 1 A 72 72 ASN N N 72 117.256 122.677 -5.421 1
1 841 . 8 1 1 A 73 73 SER H H 73 7.937 8.547 -0.610 1
1 842 . 8 1 1 A 73 73 SER HA H 73 4.429 5.292 -0.863 1
1 845 . 8 1 1 A 73 73 SER C C 73 174.532 173.763 0.769 1
1 846 . 8 1 1 A 73 73 SER CA C 73 58.642 56.415 2.227 1
1 847 . 8 1 1 A 73 73 SER CB C 73 64.137 65.670 -1.533 1
1 848 . 8 1 1 A 73 73 SER N N 73 115.503 113.339 2.164 1
1 849 . 8 1 1 A 74 74 GLY H H 74 8.206 8.280 -0.074 1
1 850 . 8 1 1 A 74 74 GLY HA2 H 74 4.071 4.262 -0.191 1
1 851 . 8 1 1 A 74 74 GLY HA3 H 74 4.123 4.262 -0.139 1
1 852 . 8 1 1 A 74 74 GLY C C 74 171.781 173.511 -1.730 1
1 853 . 8 1 1 A 74 74 GLY CA C 74 44.682 45.772 -1.090 1
1 854 . 8 1 1 A 74 74 GLY N N 74 110.659 108.190 2.469 1
1 855 . 8 1 1 A 75 75 PRO HA H 75 4.446 4.425 0.021 1
1 862 . 8 1 1 A 75 75 PRO C C 75 177.407 176.708 0.699 1
1 863 . 8 1 1 A 75 75 PRO CA C 75 63.212 63.492 -0.280 1
1 864 . 8 1 1 A 75 75 PRO CB C 75 32.182 32.109 0.073 1
1 867 . 8 1 1 A 76 76 SER H H 76 8.504 8.096 0.408 1
1 868 . 8 1 1 A 76 76 SER HA H 76 4.489 4.133 0.356 1
1 871 . 8 1 1 A 76 76 SER C C 76 174.677 173.517 1.160 1
1 872 . 8 1 1 A 76 76 SER CA C 76 58.359 58.941 -0.582 1
1 873 . 8 1 1 A 76 76 SER CB C 76 64.013 61.461 2.552 1
1 874 . 8 1 1 A 76 76 SER N N 76 116.388 113.316 3.072 1
1 875 . 8 1 1 A 77 77 SER H H 77 8.312 7.902 0.410 1
1 876 . 8 1 1 A 77 77 SER C C 77 173.914 175.064 -1.150 1
1 877 . 8 1 1 A 77 77 SER CA C 77 58.342 60.505 -2.163 1
1 878 . 8 1 1 A 77 77 SER CB C 77 64.013 63.209 0.804 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.892 4.131 -0.239 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.892 4.140 -0.248 1
1 3 . 9 1 1 A 7 7 GLY C C 7 173.405 172.076 1.329 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.070 45.562 -0.492 1
1 5 . 9 1 1 A 8 8 LYS H H 8 7.913 8.220 -0.307 1
1 6 . 9 1 1 A 8 8 LYS HA H 8 4.031 4.201 -0.170 1
1 15 . 9 1 1 A 8 8 LYS C C 8 175.501 175.778 -0.277 1
1 16 . 9 1 1 A 8 8 LYS CA C 8 55.765 56.363 -0.598 1
1 17 . 9 1 1 A 8 8 LYS CB C 8 33.046 32.528 0.518 1
1 21 . 9 1 1 A 8 8 LYS N N 8 121.849 121.045 0.804 1
1 22 . 9 1 1 A 9 9 VAL H H 9 8.175 8.690 -0.515 1
1 23 . 9 1 1 A 9 9 VAL HA H 9 4.082 4.394 -0.312 1
1 31 . 9 1 1 A 9 9 VAL C C 9 175.680 175.454 0.226 1
1 32 . 9 1 1 A 9 9 VAL CA C 9 61.571 61.085 0.486 1
1 33 . 9 1 1 A 9 9 VAL CB C 9 32.224 32.748 -0.524 1
1 36 . 9 1 1 A 9 9 VAL N N 9 125.536 127.036 -1.500 1
1 37 . 9 1 1 A 10 10 TRP H H 10 8.125 8.985 -0.860 1
1 38 . 9 1 1 A 10 10 TRP HA H 10 4.667 5.097 -0.430 1
1 47 . 9 1 1 A 10 10 TRP C C 10 174.859 175.908 -1.049 1
1 48 . 9 1 1 A 10 10 TRP CA C 10 57.088 57.071 0.017 1
1 49 . 9 1 1 A 10 10 TRP CB C 10 31.730 30.946 0.784 1
1 55 . 9 1 1 A 10 10 TRP N N 10 127.817 129.512 -1.695 1
1 57 . 9 1 1 A 11 11 LYS H H 11 9.090 9.143 -0.053 1
1 58 . 9 1 1 A 11 11 LYS HA H 11 4.856 4.961 -0.105 1
1 67 . 9 1 1 A 11 11 LYS C C 11 172.968 173.473 -0.505 1
1 68 . 9 1 1 A 11 11 LYS CA C 11 53.330 54.623 -1.293 1
1 69 . 9 1 1 A 11 11 LYS CB C 11 33.827 35.707 -1.880 1
1 73 . 9 1 1 A 11 11 LYS N N 11 120.688 118.782 1.906 1
1 74 . 9 1 1 A 12 12 PRO HA H 12 3.894 4.742 -0.848 1
1 81 . 9 1 1 A 12 12 PRO C C 12 177.287 177.489 -0.202 1
1 82 . 9 1 1 A 12 12 PRO CA C 12 63.812 63.004 0.808 1
1 83 . 9 1 1 A 12 12 PRO CB C 12 31.278 30.117 1.161 1
1 86 . 9 1 1 A 13 13 GLY H H 13 9.494 8.453 1.041 1
1 87 . 9 1 1 A 13 13 GLY HA2 H 13 4.431 4.063 0.368 1
1 88 . 9 1 1 A 13 13 GLY HA3 H 13 3.746 4.068 -0.322 1
1 89 . 9 1 1 A 13 13 GLY C C 13 174.798 173.495 1.303 1
1 90 . 9 1 1 A 13 13 GLY CA C 13 44.559 45.122 -0.563 1
1 91 . 9 1 1 A 13 13 GLY N N 13 114.764 112.539 2.225 1
1 92 . 9 1 1 A 14 14 ASP H H 14 8.005 7.957 0.048 1
1 93 . 9 1 1 A 14 14 ASP HA H 14 4.665 5.119 -0.454 1
1 96 . 9 1 1 A 14 14 ASP C C 14 176.143 175.424 0.719 1
1 97 . 9 1 1 A 14 14 ASP CA C 14 55.553 53.155 2.398 1
1 98 . 9 1 1 A 14 14 ASP CB C 14 41.600 44.600 -3.000 1
1 99 . 9 1 1 A 14 14 ASP N N 14 121.257 119.765 1.492 1
1 100 . 9 1 1 A 15 15 GLU H H 15 8.645 8.790 -0.145 1
1 101 . 9 1 1 A 15 15 GLU HA H 15 4.852 4.549 0.303 1
1 106 . 9 1 1 A 15 15 GLU C C 15 175.679 176.459 -0.780 1
1 107 . 9 1 1 A 15 15 GLU CA C 15 55.783 56.676 -0.893 1
1 108 . 9 1 1 A 15 15 GLU CB C 15 31.295 29.829 1.466 1
1 110 . 9 1 1 A 15 15 GLU N N 15 121.409 124.117 -2.708 1
1 111 . 9 1 1 A 16 16 CYS H H 16 8.735 8.966 -0.231 1
1 112 . 9 1 1 A 16 16 CYS HA H 16 5.086 5.234 -0.148 1
1 115 . 9 1 1 A 16 16 CYS C C 16 172.636 173.008 -0.372 1
1 116 . 9 1 1 A 16 16 CYS CA C 16 56.418 56.332 0.086 1
1 117 . 9 1 1 A 16 16 CYS CB C 16 32.553 31.920 0.633 1
1 118 . 9 1 1 A 16 16 CYS N N 16 116.207 121.652 -5.445 1
1 119 . 9 1 1 A 17 17 PHE H H 17 9.125 8.862 0.263 1
1 120 . 9 1 1 A 17 17 PHE HA H 17 5.235 5.696 -0.461 1
1 128 . 9 1 1 A 17 17 PHE C C 17 174.823 175.127 -0.304 1
1 129 . 9 1 1 A 17 17 PHE CA C 17 57.547 57.127 0.420 1
1 130 . 9 1 1 A 17 17 PHE CB C 17 42.053 40.782 1.271 1
1 136 . 9 1 1 A 17 17 PHE N N 17 116.836 119.654 -2.818 1
1 137 . 9 1 1 A 18 18 ALA H H 18 9.373 9.233 0.140 1
1 138 . 9 1 1 A 18 18 ALA HA H 18 5.552 5.430 0.122 1
1 142 . 9 1 1 A 18 18 ALA C C 18 175.841 175.926 -0.085 1
1 143 . 9 1 1 A 18 18 ALA CA C 18 50.147 50.023 0.124 1
1 144 . 9 1 1 A 18 18 ALA CB C 18 23.798 21.751 2.047 1
1 145 . 9 1 1 A 18 18 ALA N N 18 122.751 126.809 -4.058 1
1 146 . 9 1 1 A 19 19 LEU H H 19 7.487 8.820 -1.333 1
1 147 . 9 1 1 A 19 19 LEU HA H 19 3.514 4.701 -1.187 1
1 157 . 9 1 1 A 19 19 LEU C C 19 175.598 176.271 -0.673 1
1 158 . 9 1 1 A 19 19 LEU CA C 19 55.165 54.272 0.893 1
1 159 . 9 1 1 A 19 19 LEU CB C 19 43.656 42.508 1.148 1
1 163 . 9 1 1 A 19 19 LEU N N 19 123.529 125.071 -1.542 1
1 164 . 9 1 1 A 20 20 TYR H H 20 9.405 8.545 0.860 1
1 165 . 9 1 1 A 20 20 TYR HA H 20 4.939 4.603 0.336 1
1 172 . 9 1 1 A 20 20 TYR C C 20 176.593 177.349 -0.756 1
1 173 . 9 1 1 A 20 20 TYR CA C 20 55.201 59.203 -4.002 1
1 174 . 9 1 1 A 20 20 TYR CB C 20 37.899 39.226 -1.327 1
1 179 . 9 1 1 A 20 20 TYR N N 20 132.207 127.117 5.090 1
1 180 . 9 1 1 A 21 21 TRP H H 21 8.475 8.250 0.225 1
1 181 . 9 1 1 A 21 21 TRP HA H 21 4.087 4.510 -0.423 1
1 190 . 9 1 1 A 21 21 TRP C C 21 177.283 176.249 1.034 1
1 191 . 9 1 1 A 21 21 TRP CA C 21 58.695 58.259 0.436 1
1 192 . 9 1 1 A 21 21 TRP CB C 21 28.111 28.986 -0.875 1
1 198 . 9 1 1 A 21 21 TRP N N 21 128.228 127.460 0.768 1
1 200 . 9 1 1 A 22 22 GLU H H 22 4.195 7.261 -3.066 1
1 201 . 9 1 1 A 22 22 GLU HA H 22 2.895 4.188 -1.293 1
1 206 . 9 1 1 A 22 22 GLU C C 22 176.342 177.287 -0.945 1
1 207 . 9 1 1 A 22 22 GLU CA C 22 59.753 56.826 2.927 1
1 208 . 9 1 1 A 22 22 GLU CB C 22 29.468 30.730 -1.262 1
1 210 . 9 1 1 A 22 22 GLU N N 22 117.591 119.088 -1.497 1
1 211 . 9 1 1 A 23 23 ASP H H 23 6.695 7.974 -1.279 1
1 212 . 9 1 1 A 23 23 ASP HA H 23 4.554 4.724 -0.170 1
1 215 . 9 1 1 A 23 23 ASP C C 23 176.047 175.511 0.536 1
1 216 . 9 1 1 A 23 23 ASP CA C 23 51.970 53.722 -1.752 1
1 217 . 9 1 1 A 23 23 ASP CB C 23 41.353 42.239 -0.886 1
1 218 . 9 1 1 A 23 23 ASP N N 23 112.180 116.463 -4.283 1
1 219 . 9 1 1 A 24 24 ASN H H 24 8.248 8.345 -0.097 1
1 220 . 9 1 1 A 24 24 ASN HA H 24 4.055 4.600 -0.545 1
1 225 . 9 1 1 A 24 24 ASN C C 24 173.702 173.669 0.033 1
1 226 . 9 1 1 A 24 24 ASN CA C 24 54.794 54.389 0.405 1
1 227 . 9 1 1 A 24 24 ASN CB C 24 37.940 36.769 1.171 1
1 228 . 9 1 1 A 24 24 ASN N N 24 116.693 115.238 1.455 1
1 230 . 9 1 1 A 25 25 LYS H H 25 7.604 7.564 0.040 1
1 231 . 9 1 1 A 25 25 LYS HA H 25 4.502 4.487 0.015 1
1 240 . 9 1 1 A 25 25 LYS C C 25 174.726 175.433 -0.707 1
1 241 . 9 1 1 A 25 25 LYS CA C 25 54.565 54.322 0.243 1
1 242 . 9 1 1 A 25 25 LYS CB C 25 35.143 34.300 0.843 1
1 246 . 9 1 1 A 25 25 LYS N N 25 116.646 117.641 -0.995 1
1 247 . 9 1 1 A 26 26 PHE H H 26 8.361 8.323 0.038 1
1 248 . 9 1 1 A 26 26 PHE HA H 26 5.005 4.659 0.346 1
1 256 . 9 1 1 A 26 26 PHE C C 26 176.228 175.852 0.376 1
1 257 . 9 1 1 A 26 26 PHE CA C 26 58.236 58.795 -0.559 1
1 258 . 9 1 1 A 26 26 PHE CB C 26 41.148 39.126 2.022 1
1 264 . 9 1 1 A 26 26 PHE N N 26 118.446 121.297 -2.851 1
1 265 . 9 1 1 A 27 27 TYR H H 27 8.851 9.025 -0.174 1
1 266 . 9 1 1 A 27 27 TYR HA H 27 5.045 5.232 -0.187 1
1 273 . 9 1 1 A 27 27 TYR C C 27 175.380 175.196 0.184 1
1 274 . 9 1 1 A 27 27 TYR CA C 27 56.594 56.781 -0.187 1
1 275 . 9 1 1 A 27 27 TYR CB C 27 43.856 41.852 2.004 1
1 280 . 9 1 1 A 27 27 TYR N N 27 118.823 123.570 -4.747 1
1 281 . 9 1 1 A 28 28 ARG H H 28 9.026 8.577 0.449 1
1 282 . 9 1 1 A 28 28 ARG HA H 28 4.202 3.180 1.022 1
1 290 . 9 1 1 A 28 28 ARG C C 28 175.789 175.314 0.475 1
1 291 . 9 1 1 A 28 28 ARG CA C 28 57.142 56.584 0.558 1
1 292 . 9 1 1 A 28 28 ARG CB C 28 30.291 31.046 -0.755 1
1 295 . 9 1 1 A 28 28 ARG N N 28 122.262 123.523 -1.261 1
1 297 . 9 1 1 A 29 29 ALA H H 29 9.157 8.182 0.975 1
1 298 . 9 1 1 A 29 29 ALA HA H 29 5.098 4.952 0.146 1
1 302 . 9 1 1 A 29 29 ALA C C 29 175.247 175.076 0.171 1
1 303 . 9 1 1 A 29 29 ALA CA C 29 51.188 51.346 -0.158 1
1 304 . 9 1 1 A 29 29 ALA CB C 29 23.153 22.766 0.387 1
1 305 . 9 1 1 A 29 29 ALA N N 29 126.768 126.799 -0.031 1
1 306 . 9 1 1 A 30 30 GLU H H 30 8.167 8.514 -0.347 1
1 307 . 9 1 1 A 30 30 GLU HA H 30 5.085 4.788 0.297 1
1 312 . 9 1 1 A 30 30 GLU C C 30 176.265 174.971 1.294 1
1 313 . 9 1 1 A 30 30 GLU CA C 30 53.948 55.357 -1.409 1
1 314 . 9 1 1 A 30 30 GLU CB C 30 33.622 33.411 0.211 1
1 316 . 9 1 1 A 30 30 GLU N N 30 118.036 118.354 -0.318 1
1 317 . 9 1 1 A 31 31 VAL H H 31 8.961 8.972 -0.011 1
1 318 . 9 1 1 A 31 31 VAL HA H 31 3.545 3.898 -0.353 1
1 326 . 9 1 1 A 31 31 VAL C C 31 175.369 175.967 -0.598 1
1 327 . 9 1 1 A 31 31 VAL CA C 31 64.571 63.292 1.279 1
1 328 . 9 1 1 A 31 31 VAL CB C 31 31.678 30.907 0.771 1
1 331 . 9 1 1 A 31 31 VAL N N 31 124.010 127.322 -3.312 1
1 332 . 9 1 1 A 32 32 GLU H H 32 9.483 9.022 0.461 1
1 333 . 9 1 1 A 32 32 GLU HA H 32 4.627 4.290 0.337 1
1 338 . 9 1 1 A 32 32 GLU C C 32 175.695 176.287 -0.592 1
1 339 . 9 1 1 A 32 32 GLU CA C 32 56.841 58.603 -1.762 1
1 340 . 9 1 1 A 32 32 GLU CB C 32 30.661 30.553 0.108 1
1 342 . 9 1 1 A 32 32 GLU N N 32 130.912 129.433 1.479 1
1 343 . 9 1 1 A 33 33 ALA H H 33 7.838 7.396 0.442 1
1 344 . 9 1 1 A 33 33 ALA HA H 33 4.456 4.666 -0.210 1
1 348 . 9 1 1 A 33 33 ALA C C 33 174.956 175.598 -0.642 1
1 349 . 9 1 1 A 33 33 ALA CA C 33 51.777 51.572 0.205 1
1 350 . 9 1 1 A 33 33 ALA CB C 33 22.189 22.890 -0.701 1
1 351 . 9 1 1 A 33 33 ALA N N 33 117.714 118.819 -1.105 1
1 352 . 9 1 1 A 34 34 LEU H H 34 8.954 8.715 0.239 1
1 353 . 9 1 1 A 34 34 LEU HA H 34 4.702 4.803 -0.101 1
1 363 . 9 1 1 A 34 34 LEU C C 34 176.325 176.580 -0.255 1
1 364 . 9 1 1 A 34 34 LEU CA C 34 53.559 53.960 -0.401 1
1 365 . 9 1 1 A 34 34 LEU CB C 34 42.381 43.173 -0.792 1
1 369 . 9 1 1 A 34 34 LEU N N 34 122.418 121.369 1.049 1
1 370 . 9 1 1 A 35 35 HIS H H 35 8.022 8.692 -0.670 1
1 371 . 9 1 1 A 35 35 HIS HA H 35 4.544 4.839 -0.295 1
1 376 . 9 1 1 A 35 35 HIS C C 35 178.300 175.585 2.715 1
1 377 . 9 1 1 A 35 35 HIS CA C 35 57.706 55.456 2.250 1
1 378 . 9 1 1 A 35 35 HIS CB C 35 32.594 31.514 1.080 1
1 381 . 9 1 1 A 35 35 HIS N N 35 123.729 122.645 1.084 1
1 382 . 9 1 1 A 37 37 SER H H 37 10.111 7.608 2.503 1
1 383 . 9 1 1 A 37 37 SER HA H 37 4.339 4.251 0.088 1
1 386 . 9 1 1 A 37 37 SER C C 37 176.434 174.708 1.726 1
1 387 . 9 1 1 A 37 37 SER CA C 37 59.895 60.725 -0.830 1
1 388 . 9 1 1 A 37 37 SER CB C 37 63.665 63.647 0.018 1
1 389 . 9 1 1 A 37 37 SER N N 37 119.788 114.351 5.437 1
1 390 . 9 1 1 A 38 38 GLY H H 38 8.136 8.052 0.084 1
1 391 . 9 1 1 A 38 38 GLY HA2 H 38 4.257 4.046 0.211 1
1 392 . 9 1 1 A 38 38 GLY HA3 H 38 3.981 4.069 -0.088 1
1 393 . 9 1 1 A 38 38 GLY C C 38 174.441 174.453 -0.012 1
1 394 . 9 1 1 A 38 38 GLY CA C 38 46.006 45.975 0.031 1
1 395 . 9 1 1 A 38 38 GLY N N 38 108.557 108.277 0.280 1
1 396 . 9 1 1 A 39 39 MET H H 39 8.180 8.215 -0.035 1
1 397 . 9 1 1 A 39 39 MET HA H 39 4.789 4.683 0.106 1
1 405 . 9 1 1 A 39 39 MET C C 39 177.404 176.085 1.319 1
1 406 . 9 1 1 A 39 39 MET CA C 39 55.889 56.419 -0.530 1
1 407 . 9 1 1 A 39 39 MET CB C 39 34.033 35.656 -1.623 1
1 410 . 9 1 1 A 39 39 MET N N 39 113.829 116.260 -2.431 1
1 411 . 9 1 1 A 40 40 THR H H 40 7.174 8.134 -0.960 1
1 412 . 9 1 1 A 40 40 THR HA H 40 5.182 5.045 0.137 1
1 417 . 9 1 1 A 40 40 THR C C 40 172.981 173.676 -0.695 1
1 418 . 9 1 1 A 40 40 THR CA C 40 59.559 60.072 -0.513 1
1 419 . 9 1 1 A 40 40 THR CB C 40 73.120 71.685 1.435 1
1 421 . 9 1 1 A 40 40 THR N N 40 108.160 109.543 -1.383 1
1 422 . 9 1 1 A 41 41 ALA H H 41 9.245 8.711 0.534 1
1 423 . 9 1 1 A 41 41 ALA HA H 41 4.932 4.971 -0.039 1
1 427 . 9 1 1 A 41 41 ALA C C 41 175.635 176.182 -0.547 1
1 428 . 9 1 1 A 41 41 ALA CA C 41 50.417 50.921 -0.504 1
1 429 . 9 1 1 A 41 41 ALA CB C 41 22.600 23.477 -0.877 1
1 430 . 9 1 1 A 41 41 ALA N N 41 122.138 122.141 -0.003 1
1 431 . 9 1 1 A 42 42 VAL H H 42 8.773 8.804 -0.031 1
1 432 . 9 1 1 A 42 42 VAL HA H 42 4.789 4.318 0.471 1
1 440 . 9 1 1 A 42 42 VAL C C 42 176.410 175.604 0.806 1
1 441 . 9 1 1 A 42 42 VAL CA C 42 62.083 62.095 -0.012 1
1 442 . 9 1 1 A 42 42 VAL CB C 42 32.776 31.567 1.209 1
1 445 . 9 1 1 A 42 42 VAL N N 42 120.320 119.421 0.899 1
1 446 . 9 1 1 A 43 43 VAL H H 43 9.224 8.685 0.539 1
1 447 . 9 1 1 A 43 43 VAL HA H 43 5.013 4.874 0.139 1
1 455 . 9 1 1 A 43 43 VAL C C 43 172.532 173.966 -1.434 1
1 456 . 9 1 1 A 43 43 VAL CA C 43 57.812 59.128 -1.316 1
1 457 . 9 1 1 A 43 43 VAL CB C 43 34.280 34.185 0.095 1
1 460 . 9 1 1 A 43 43 VAL N N 43 121.151 121.825 -0.674 1
1 461 . 9 1 1 A 44 44 LYS H H 44 8.645 8.573 0.072 1
1 462 . 9 1 1 A 44 44 LYS HA H 44 4.627 4.679 -0.052 1
1 471 . 9 1 1 A 44 44 LYS C C 44 177.419 175.392 2.027 1
1 472 . 9 1 1 A 44 44 LYS CA C 44 53.612 54.750 -1.138 1
1 473 . 9 1 1 A 44 44 LYS CB C 44 35.143 34.460 0.683 1
1 477 . 9 1 1 A 44 44 LYS N N 44 121.425 124.094 -2.669 1
1 478 . 9 1 1 A 45 45 PHE H H 45 8.823 8.766 0.057 1
1 479 . 9 1 1 A 45 45 PHE HA H 45 4.505 4.583 -0.078 1
1 487 . 9 1 1 A 45 45 PHE C C 45 177.585 176.487 1.098 1
1 488 . 9 1 1 A 45 45 PHE CA C 45 59.841 58.183 1.658 1
1 489 . 9 1 1 A 45 45 PHE CB C 45 38.598 39.542 -0.944 1
1 495 . 9 1 1 A 45 45 PHE N N 45 128.232 125.932 2.300 1
1 496 . 9 1 1 A 46 46 THR H H 46 8.281 8.548 -0.267 1
1 497 . 9 1 1 A 46 46 THR HA H 46 3.738 4.020 -0.282 1
1 502 . 9 1 1 A 46 46 THR C C 46 176.410 176.010 0.400 1
1 503 . 9 1 1 A 46 46 THR CA C 46 65.930 65.504 0.426 1
1 504 . 9 1 1 A 46 46 THR CB C 46 68.743 68.740 0.003 1
1 506 . 9 1 1 A 46 46 THR N N 46 120.729 120.699 0.030 1
1 507 . 9 1 1 A 47 47 ASP H H 47 9.166 8.309 0.857 1
1 508 . 9 1 1 A 47 47 ASP HA H 47 4.300 4.083 0.217 1
1 511 . 9 1 1 A 47 47 ASP C C 47 176.844 177.395 -0.551 1
1 512 . 9 1 1 A 47 47 ASP CA C 47 57.283 57.438 -0.155 1
1 513 . 9 1 1 A 47 47 ASP CB C 47 40.037 40.215 -0.178 1
1 514 . 9 1 1 A 47 47 ASP N N 47 120.635 120.607 0.028 1
1 515 . 9 1 1 A 48 48 TYR H H 48 7.676 7.699 -0.023 1
1 516 . 9 1 1 A 48 48 TYR HA H 48 4.605 4.638 -0.033 1
1 523 . 9 1 1 A 48 48 TYR C C 48 177.343 176.064 1.279 1
1 524 . 9 1 1 A 48 48 TYR CA C 48 57.777 58.369 -0.592 1
1 525 . 9 1 1 A 48 48 TYR CB C 48 39.914 40.670 -0.756 1
1 530 . 9 1 1 A 48 48 TYR N N 48 114.763 113.745 1.018 1
1 531 . 9 1 1 A 49 49 GLY H H 49 8.065 8.019 0.046 1
1 532 . 9 1 1 A 49 49 GLY HA2 H 49 4.023 4.025 -0.002 1
1 533 . 9 1 1 A 49 49 GLY HA3 H 49 3.571 4.028 -0.457 1
1 534 . 9 1 1 A 49 49 GLY C C 49 172.707 174.157 -1.450 1
1 535 . 9 1 1 A 49 49 GLY CA C 49 46.165 45.342 0.823 1
1 536 . 9 1 1 A 49 49 GLY N N 49 107.679 107.050 0.629 1
1 537 . 9 1 1 A 50 50 ASN H H 50 8.836 8.045 0.791 1
1 538 . 9 1 1 A 50 50 ASN HA H 50 4.777 5.186 -0.409 1
1 543 . 9 1 1 A 50 50 ASN C C 50 173.696 173.655 0.041 1
1 544 . 9 1 1 A 50 50 ASN CA C 50 52.747 51.332 1.415 1
1 545 . 9 1 1 A 50 50 ASN CB C 50 37.710 41.126 -3.416 1
1 546 . 9 1 1 A 50 50 ASN N N 50 114.795 115.945 -1.150 1
1 548 . 9 1 1 A 51 51 TYR H H 51 8.726 8.543 0.183 1
1 549 . 9 1 1 A 51 51 TYR HA H 51 5.696 4.872 0.824 1
1 556 . 9 1 1 A 51 51 TYR C C 51 176.871 175.832 1.039 1
1 557 . 9 1 1 A 51 51 TYR CA C 51 56.789 58.330 -1.541 1
1 558 . 9 1 1 A 51 51 TYR CB C 51 40.037 39.850 0.187 1
1 563 . 9 1 1 A 51 51 TYR N N 51 120.703 121.578 -0.875 1
1 564 . 9 1 1 A 52 52 GLU H H 52 8.995 8.956 0.039 1
1 565 . 9 1 1 A 52 52 GLU HA H 52 4.981 5.015 -0.034 1
1 570 . 9 1 1 A 52 52 GLU C C 52 174.629 174.942 -0.313 1
1 571 . 9 1 1 A 52 52 GLU CA C 52 54.070 55.519 -1.449 1
1 572 . 9 1 1 A 52 52 GLU CB C 52 34.814 33.789 1.025 1
1 574 . 9 1 1 A 52 52 GLU N N 52 118.929 121.553 -2.624 1
1 575 . 9 1 1 A 53 53 GLU H H 53 8.995 8.668 0.327 1
1 576 . 9 1 1 A 53 53 GLU HA H 53 5.175 4.555 0.620 1
1 581 . 9 1 1 A 53 53 GLU C C 53 176.301 175.509 0.792 1
1 582 . 9 1 1 A 53 53 GLU CA C 53 55.500 55.847 -0.347 1
1 583 . 9 1 1 A 53 53 GLU CB C 53 30.537 30.393 0.144 1
1 585 . 9 1 1 A 53 53 GLU N N 53 122.819 124.406 -1.587 1
1 586 . 9 1 1 A 54 54 VAL H H 54 9.375 8.334 1.041 1
1 587 . 9 1 1 A 54 54 VAL HA H 54 4.739 4.712 0.027 1
1 595 . 9 1 1 A 54 54 VAL C C 54 175.017 174.839 0.178 1
1 596 . 9 1 1 A 54 54 VAL CA C 54 59.647 60.593 -0.946 1
1 597 . 9 1 1 A 54 54 VAL CB C 54 36.171 35.525 0.646 1
1 600 . 9 1 1 A 54 54 VAL N N 54 125.177 126.498 -1.321 1
1 601 . 9 1 1 A 55 55 LEU H H 55 8.744 8.589 0.155 1
1 602 . 9 1 1 A 55 55 LEU HA H 55 4.500 4.498 0.002 1
1 612 . 9 1 1 A 55 55 LEU C C 55 179.440 178.638 0.802 1
1 613 . 9 1 1 A 55 55 LEU CA C 55 55.495 54.657 0.838 1
1 614 . 9 1 1 A 55 55 LEU CB C 55 42.628 42.279 0.349 1
1 618 . 9 1 1 A 55 55 LEU N N 55 123.920 125.594 -1.674 1
1 619 . 9 1 1 A 56 56 LEU H H 56 8.324 8.880 -0.556 1
1 620 . 9 1 1 A 56 56 LEU HA H 56 3.855 4.019 -0.164 1
1 630 . 9 1 1 A 56 56 LEU C C 56 178.810 178.520 0.290 1
1 631 . 9 1 1 A 56 56 LEU CA C 56 57.883 57.852 0.031 1
1 632 . 9 1 1 A 56 56 LEU CB C 56 41.330 41.410 -0.080 1
1 636 . 9 1 1 A 56 56 LEU N N 56 123.383 123.563 -0.180 1
1 637 . 9 1 1 A 57 57 SER H H 57 7.886 8.101 -0.215 1
1 638 . 9 1 1 A 57 57 SER HA H 57 4.364 4.456 -0.092 1
1 641 . 9 1 1 A 57 57 SER C C 57 174.944 175.383 -0.439 1
1 642 . 9 1 1 A 57 57 SER CA C 57 59.859 60.084 -0.225 1
1 643 . 9 1 1 A 57 57 SER CB C 57 62.509 62.795 -0.286 1
1 644 . 9 1 1 A 57 57 SER N N 57 109.927 114.338 -4.411 1
1 645 . 9 1 1 A 58 58 ASN H H 58 8.085 7.945 0.140 1
1 646 . 9 1 1 A 58 58 ASN HA H 58 5.275 5.097 0.178 1
1 651 . 9 1 1 A 58 58 ASN C C 58 172.402 174.102 -1.700 1
1 652 . 9 1 1 A 58 58 ASN CA C 58 52.535 53.199 -0.664 1
1 653 . 9 1 1 A 58 58 ASN CB C 58 39.585 39.616 -0.031 1
1 654 . 9 1 1 A 58 58 ASN N N 58 120.812 117.496 3.316 1
1 656 . 9 1 1 A 59 59 ILE H H 59 7.291 7.443 -0.152 1
1 657 . 9 1 1 A 59 59 ILE HA H 59 5.125 5.288 -0.163 1
1 667 . 9 1 1 A 59 59 ILE C C 59 174.980 175.046 -0.066 1
1 668 . 9 1 1 A 59 59 ILE CA C 59 60.659 59.567 1.092 1
1 669 . 9 1 1 A 59 59 ILE CB C 59 39.996 41.418 -1.422 1
1 673 . 9 1 1 A 59 59 ILE N N 59 115.444 121.386 -5.942 1
1 674 . 9 1 1 A 60 60 LYS H H 60 9.366 8.623 0.743 1
1 675 . 9 1 1 A 60 60 LYS HA H 60 5.300 5.042 0.258 1
1 684 . 9 1 1 A 60 60 LYS C C 60 173.381 174.326 -0.945 1
1 685 . 9 1 1 A 60 60 LYS CA C 60 52.977 52.971 0.006 1
1 686 . 9 1 1 A 60 60 LYS CB C 60 34.814 34.544 0.270 1
1 690 . 9 1 1 A 60 60 LYS N N 60 122.819 125.201 -2.382 1
1 691 . 9 1 1 A 61 61 PRO HA H 61 5.027 5.106 -0.079 1
1 698 . 9 1 1 A 61 61 PRO C C 61 176.256 177.045 -0.789 1
1 699 . 9 1 1 A 61 61 PRO CA C 61 62.754 63.099 -0.345 1
1 700 . 9 1 1 A 61 61 PRO CB C 61 32.594 31.888 0.706 1
1 703 . 9 1 1 A 62 62 VAL H H 62 8.525 8.436 0.089 1
1 704 . 9 1 1 A 62 62 VAL HA H 62 3.969 4.276 -0.307 1
1 712 . 9 1 1 A 62 62 VAL C C 62 176.192 176.183 0.009 1
1 713 . 9 1 1 A 62 62 VAL CA C 62 62.895 62.806 0.089 1
1 714 . 9 1 1 A 62 62 VAL CB C 62 32.059 32.206 -0.147 1
1 717 . 9 1 1 A 62 62 VAL N N 62 117.807 123.086 -5.279 1
1 718 . 9 1 1 A 63 63 GLN H H 63 7.815 8.673 -0.858 1
1 719 . 9 1 1 A 63 63 GLN HA H 63 4.415 4.475 -0.060 1
1 726 . 9 1 1 A 63 63 GLN C C 63 175.716 174.822 0.894 1
1 727 . 9 1 1 A 63 63 GLN CA C 63 55.535 56.473 -0.938 1
1 728 . 9 1 1 A 63 63 GLN CB C 63 29.468 29.013 0.455 1
1 730 . 9 1 1 A 63 63 GLN N N 63 122.188 127.380 -5.192 1
1 732 . 9 1 1 A 64 64 THR H H 64 8.185 8.948 -0.763 1
1 733 . 9 1 1 A 64 64 THR HA H 64 4.154 4.809 -0.655 1
1 738 . 9 1 1 A 64 64 THR C C 64 174.616 173.251 1.365 1
1 739 . 9 1 1 A 64 64 THR CA C 64 62.277 60.984 1.293 1
1 740 . 9 1 1 A 64 64 THR CB C 64 69.565 68.012 1.553 1
1 742 . 9 1 1 A 64 64 THR N N 64 116.169 123.149 -6.980 1
1 743 . 9 1 1 A 65 65 GLU H H 65 8.460 8.520 -0.060 1
1 744 . 9 1 1 A 65 65 GLU HA H 65 4.174 4.786 -0.612 1
1 749 . 9 1 1 A 65 65 GLU C C 65 176.216 176.742 -0.526 1
1 750 . 9 1 1 A 65 65 GLU CA C 65 56.647 55.282 1.365 1
1 751 . 9 1 1 A 65 65 GLU CB C 65 30.044 30.749 -0.705 1
1 753 . 9 1 1 A 65 65 GLU N N 65 123.014 127.405 -4.391 1
1 754 . 9 1 1 A 66 66 ALA H H 66 8.245 8.288 -0.043 1
1 755 . 9 1 1 A 66 66 ALA HA H 66 4.205 4.110 0.095 1
1 759 . 9 1 1 A 66 66 ALA C C 66 177.258 177.310 -0.052 1
1 760 . 9 1 1 A 66 66 ALA CA C 66 52.730 55.254 -2.524 1
1 761 . 9 1 1 A 66 66 ALA CB C 66 19.064 19.167 -0.103 1
1 762 . 9 1 1 A 66 66 ALA N N 66 124.251 124.889 -0.638 1
1 763 . 9 1 1 A 67 67 TRP H H 67 7.875 7.854 0.021 1
1 764 . 9 1 1 A 67 67 TRP HA H 67 4.609 5.067 -0.458 1
1 772 . 9 1 1 A 67 67 TRP C C 67 175.889 174.054 1.835 1
1 773 . 9 1 1 A 67 67 TRP CA C 67 57.106 55.925 1.181 1
1 774 . 9 1 1 A 67 67 TRP CB C 67 29.427 31.110 -1.683 1
1 779 . 9 1 1 A 67 67 TRP N N 67 119.568 113.029 6.539 1
1 781 . 9 1 1 A 68 68 VAL H H 68 7.815 8.367 -0.552 1
1 782 . 9 1 1 A 68 68 VAL HA H 68 3.917 4.390 -0.473 1
1 790 . 9 1 1 A 68 68 VAL C C 68 175.368 175.387 -0.019 1
1 791 . 9 1 1 A 68 68 VAL CA C 68 62.189 59.613 2.576 1
1 792 . 9 1 1 A 68 68 VAL CB C 68 32.981 34.648 -1.667 1
1 795 . 9 1 1 A 68 68 VAL N N 68 122.485 115.342 7.143 1
1 796 . 9 1 1 A 69 69 ARG H H 69 8.084 8.632 -0.548 1
1 797 . 9 1 1 A 69 69 ARG HA H 69 4.107 3.688 0.419 1
1 804 . 9 1 1 A 69 69 ARG C C 69 175.465 174.387 1.078 1
1 805 . 9 1 1 A 69 69 ARG CA C 69 55.841 56.865 -1.024 1
1 806 . 9 1 1 A 69 69 ARG CB C 69 30.949 28.888 2.061 1
1 809 . 9 1 1 A 69 69 ARG N N 69 124.540 122.222 2.318 1
1 810 . 9 1 1 A 70 70 ASP H H 70 8.365 7.946 0.419 1
1 811 . 9 1 1 A 70 70 ASP HA H 70 4.780 4.953 -0.173 1
1 814 . 9 1 1 A 70 70 ASP C C 70 175.319 175.946 -0.627 1
1 815 . 9 1 1 A 70 70 ASP CA C 70 51.882 51.446 0.436 1
1 816 . 9 1 1 A 70 70 ASP CB C 70 41.312 41.147 0.165 1
1 817 . 9 1 1 A 70 70 ASP N N 70 123.498 119.006 4.492 1
1 818 . 9 1 1 A 71 71 PRO HA H 71 4.355 4.490 -0.135 1
1 825 . 9 1 1 A 71 71 PRO C C 71 177.091 177.168 -0.077 1
1 826 . 9 1 1 A 71 71 PRO CA C 71 63.777 64.805 -1.028 1
1 827 . 9 1 1 A 71 71 PRO CB C 71 32.118 32.146 -0.028 1
1 830 . 9 1 1 A 72 72 ASN H H 72 8.521 7.894 0.627 1
1 831 . 9 1 1 A 72 72 ASN HA H 72 4.764 4.761 0.003 1
1 836 . 9 1 1 A 72 72 ASN C C 72 175.312 175.890 -0.578 1
1 837 . 9 1 1 A 72 72 ASN CA C 72 53.471 53.033 0.438 1
1 838 . 9 1 1 A 72 72 ASN CB C 72 38.869 39.496 -0.627 1
1 839 . 9 1 1 A 72 72 ASN N N 72 117.256 116.676 0.580 1
1 841 . 9 1 1 A 73 73 SER H H 73 7.937 8.628 -0.691 1
1 842 . 9 1 1 A 73 73 SER HA H 73 4.429 4.072 0.357 1
1 845 . 9 1 1 A 73 73 SER C C 73 174.532 174.357 0.175 1
1 846 . 9 1 1 A 73 73 SER CA C 73 58.642 59.913 -1.271 1
1 847 . 9 1 1 A 73 73 SER CB C 73 64.137 63.922 0.215 1
1 848 . 9 1 1 A 73 73 SER N N 73 115.503 114.435 1.068 1
1 849 . 9 1 1 A 74 74 GLY H H 74 8.206 7.830 0.376 1
1 850 . 9 1 1 A 74 74 GLY HA2 H 74 4.071 3.998 0.073 1
1 851 . 9 1 1 A 74 74 GLY HA3 H 74 4.123 4.087 0.036 1
1 852 . 9 1 1 A 74 74 GLY C C 74 171.781 173.160 -1.379 1
1 853 . 9 1 1 A 74 74 GLY CA C 74 44.682 44.816 -0.134 1
1 854 . 9 1 1 A 74 74 GLY N N 74 110.659 110.101 0.558 1
1 855 . 9 1 1 A 75 75 PRO HA H 75 4.446 4.769 -0.323 1
1 862 . 9 1 1 A 75 75 PRO C C 75 177.407 175.873 1.534 1
1 863 . 9 1 1 A 75 75 PRO CA C 75 63.212 62.590 0.622 1
1 864 . 9 1 1 A 75 75 PRO CB C 75 32.182 31.239 0.943 1
1 867 . 9 1 1 A 76 76 SER H H 76 8.504 8.720 -0.216 1
1 868 . 9 1 1 A 76 76 SER HA H 76 4.489 4.764 -0.275 1
1 871 . 9 1 1 A 76 76 SER C C 76 174.677 172.923 1.754 1
1 872 . 9 1 1 A 76 76 SER CA C 76 58.359 57.717 0.642 1
1 873 . 9 1 1 A 76 76 SER CB C 76 64.013 63.084 0.929 1
1 874 . 9 1 1 A 76 76 SER N N 76 116.388 120.513 -4.125 1
1 875 . 9 1 1 A 77 77 SER H H 77 8.312 8.319 -0.007 1
1 876 . 9 1 1 A 77 77 SER C C 77 173.914 172.265 1.649 1
1 877 . 9 1 1 A 77 77 SER CA C 77 58.342 57.504 0.838 1
1 878 . 9 1 1 A 77 77 SER CB C 77 64.013 65.636 -1.623 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.892 3.815 0.077 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.892 3.815 0.077 1
1 3 . 10 1 1 A 7 7 GLY C C 7 173.405 173.341 0.064 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.070 47.319 -2.249 1
1 5 . 10 1 1 A 8 8 LYS H H 8 7.913 8.232 -0.319 1
1 6 . 10 1 1 A 8 8 LYS HA H 8 4.031 4.670 -0.639 1
1 15 . 10 1 1 A 8 8 LYS C C 8 175.501 174.041 1.460 1
1 16 . 10 1 1 A 8 8 LYS CA C 8 55.765 55.037 0.728 1
1 17 . 10 1 1 A 8 8 LYS CB C 8 33.046 34.782 -1.736 1
1 21 . 10 1 1 A 8 8 LYS N N 8 121.849 123.565 -1.716 1
1 22 . 10 1 1 A 9 9 VAL H H 9 8.175 8.872 -0.697 1
1 23 . 10 1 1 A 9 9 VAL HA H 9 4.082 4.869 -0.787 1
1 31 . 10 1 1 A 9 9 VAL C C 9 175.680 174.080 1.600 1
1 32 . 10 1 1 A 9 9 VAL CA C 9 61.571 59.766 1.805 1
1 33 . 10 1 1 A 9 9 VAL CB C 9 32.224 34.568 -2.344 1
1 36 . 10 1 1 A 9 9 VAL N N 9 125.536 126.215 -0.679 1
1 37 . 10 1 1 A 10 10 TRP H H 10 8.125 8.877 -0.752 1
1 38 . 10 1 1 A 10 10 TRP HA H 10 4.667 5.147 -0.480 1
1 47 . 10 1 1 A 10 10 TRP C C 10 174.859 176.118 -1.259 1
1 48 . 10 1 1 A 10 10 TRP CA C 10 57.088 57.072 0.016 1
1 49 . 10 1 1 A 10 10 TRP CB C 10 31.730 31.445 0.285 1
1 55 . 10 1 1 A 10 10 TRP N N 10 127.817 128.669 -0.852 1
1 57 . 10 1 1 A 11 11 LYS H H 11 9.090 9.397 -0.307 1
1 58 . 10 1 1 A 11 11 LYS HA H 11 4.856 5.015 -0.159 1
1 67 . 10 1 1 A 11 11 LYS C C 11 172.968 173.572 -0.604 1
1 68 . 10 1 1 A 11 11 LYS CA C 11 53.330 53.783 -0.453 1
1 69 . 10 1 1 A 11 11 LYS CB C 11 33.827 35.927 -2.100 1
1 73 . 10 1 1 A 11 11 LYS N N 11 120.688 118.788 1.900 1
1 74 . 10 1 1 A 12 12 PRO HA H 12 3.894 4.381 -0.487 1
1 81 . 10 1 1 A 12 12 PRO C C 12 177.287 177.590 -0.303 1
1 82 . 10 1 1 A 12 12 PRO CA C 12 63.812 63.762 0.050 1
1 83 . 10 1 1 A 12 12 PRO CB C 12 31.278 31.279 -0.001 1
1 86 . 10 1 1 A 13 13 GLY H H 13 9.494 8.673 0.821 1
1 87 . 10 1 1 A 13 13 GLY HA2 H 13 4.431 4.017 0.414 1
1 88 . 10 1 1 A 13 13 GLY HA3 H 13 3.746 4.025 -0.279 1
1 89 . 10 1 1 A 13 13 GLY C C 13 174.798 173.556 1.242 1
1 90 . 10 1 1 A 13 13 GLY CA C 13 44.559 45.311 -0.752 1
1 91 . 10 1 1 A 13 13 GLY N N 13 114.764 112.676 2.088 1
1 92 . 10 1 1 A 14 14 ASP H H 14 8.005 7.959 0.046 1
1 93 . 10 1 1 A 14 14 ASP HA H 14 4.665 4.926 -0.261 1
1 96 . 10 1 1 A 14 14 ASP C C 14 176.143 175.168 0.975 1
1 97 . 10 1 1 A 14 14 ASP CA C 14 55.553 53.301 2.252 1
1 98 . 10 1 1 A 14 14 ASP CB C 14 41.600 43.725 -2.125 1
1 99 . 10 1 1 A 14 14 ASP N N 14 121.257 120.206 1.051 1
1 100 . 10 1 1 A 15 15 GLU H H 15 8.645 8.727 -0.082 1
1 101 . 10 1 1 A 15 15 GLU HA H 15 4.852 4.554 0.298 1
1 106 . 10 1 1 A 15 15 GLU C C 15 175.679 176.618 -0.939 1
1 107 . 10 1 1 A 15 15 GLU CA C 15 55.783 57.281 -1.498 1
1 108 . 10 1 1 A 15 15 GLU CB C 15 31.295 29.845 1.450 1
1 110 . 10 1 1 A 15 15 GLU N N 15 121.409 122.613 -1.204 1
1 111 . 10 1 1 A 16 16 CYS H H 16 8.735 9.046 -0.311 1
1 112 . 10 1 1 A 16 16 CYS HA H 16 5.086 5.091 -0.005 1
1 115 . 10 1 1 A 16 16 CYS C C 16 172.636 172.902 -0.266 1
1 116 . 10 1 1 A 16 16 CYS CA C 16 56.418 56.469 -0.051 1
1 117 . 10 1 1 A 16 16 CYS CB C 16 32.553 31.087 1.466 1
1 118 . 10 1 1 A 16 16 CYS N N 16 116.207 121.010 -4.803 1
1 119 . 10 1 1 A 17 17 PHE H H 17 9.125 9.109 0.016 1
1 120 . 10 1 1 A 17 17 PHE HA H 17 5.235 5.681 -0.446 1
1 128 . 10 1 1 A 17 17 PHE C C 17 174.823 175.048 -0.225 1
1 129 . 10 1 1 A 17 17 PHE CA C 17 57.547 57.050 0.497 1
1 130 . 10 1 1 A 17 17 PHE CB C 17 42.053 40.738 1.315 1
1 136 . 10 1 1 A 17 17 PHE N N 17 116.836 119.543 -2.707 1
1 137 . 10 1 1 A 18 18 ALA H H 18 9.373 9.255 0.118 1
1 138 . 10 1 1 A 18 18 ALA HA H 18 5.552 5.414 0.138 1
1 142 . 10 1 1 A 18 18 ALA C C 18 175.841 176.055 -0.214 1
1 143 . 10 1 1 A 18 18 ALA CA C 18 50.147 50.053 0.094 1
1 144 . 10 1 1 A 18 18 ALA CB C 18 23.798 21.622 2.176 1
1 145 . 10 1 1 A 18 18 ALA N N 18 122.751 126.833 -4.082 1
1 146 . 10 1 1 A 19 19 LEU H H 19 7.487 8.731 -1.244 1
1 147 . 10 1 1 A 19 19 LEU HA H 19 3.514 4.633 -1.119 1
1 157 . 10 1 1 A 19 19 LEU C C 19 175.598 176.253 -0.655 1
1 158 . 10 1 1 A 19 19 LEU CA C 19 55.165 54.185 0.980 1
1 159 . 10 1 1 A 19 19 LEU CB C 19 43.656 42.554 1.102 1
1 163 . 10 1 1 A 19 19 LEU N N 19 123.529 125.029 -1.500 1
1 164 . 10 1 1 A 20 20 TYR H H 20 9.405 8.425 0.980 1
1 165 . 10 1 1 A 20 20 TYR HA H 20 4.939 4.481 0.458 1
1 172 . 10 1 1 A 20 20 TYR C C 20 176.593 177.098 -0.505 1
1 173 . 10 1 1 A 20 20 TYR CA C 20 55.201 59.233 -4.032 1
1 174 . 10 1 1 A 20 20 TYR CB C 20 37.899 38.932 -1.033 1
1 179 . 10 1 1 A 20 20 TYR N N 20 132.207 127.042 5.165 1
1 180 . 10 1 1 A 21 21 TRP H H 21 8.475 8.104 0.371 1
1 181 . 10 1 1 A 21 21 TRP HA H 21 4.087 4.500 -0.413 1
1 190 . 10 1 1 A 21 21 TRP C C 21 177.283 176.411 0.872 1
1 191 . 10 1 1 A 21 21 TRP CA C 21 58.695 58.160 0.535 1
1 192 . 10 1 1 A 21 21 TRP CB C 21 28.111 29.481 -1.370 1
1 198 . 10 1 1 A 21 21 TRP N N 21 128.228 126.678 1.550 1
1 200 . 10 1 1 A 22 22 GLU H H 22 4.195 7.002 -2.807 1
1 201 . 10 1 1 A 22 22 GLU HA H 22 2.895 4.151 -1.256 1
1 206 . 10 1 1 A 22 22 GLU C C 22 176.342 176.793 -0.451 1
1 207 . 10 1 1 A 22 22 GLU CA C 22 59.753 55.882 3.871 1
1 208 . 10 1 1 A 22 22 GLU CB C 22 29.468 30.445 -0.977 1
1 210 . 10 1 1 A 22 22 GLU N N 22 117.591 118.590 -0.999 1
1 211 . 10 1 1 A 23 23 ASP H H 23 6.695 7.728 -1.033 1
1 212 . 10 1 1 A 23 23 ASP HA H 23 4.554 4.793 -0.239 1
1 215 . 10 1 1 A 23 23 ASP C C 23 176.047 176.231 -0.184 1
1 216 . 10 1 1 A 23 23 ASP CA C 23 51.970 53.806 -1.836 1
1 217 . 10 1 1 A 23 23 ASP CB C 23 41.353 43.054 -1.701 1
1 218 . 10 1 1 A 23 23 ASP N N 23 112.180 116.632 -4.452 1
1 219 . 10 1 1 A 24 24 ASN H H 24 8.248 8.281 -0.033 1
1 220 . 10 1 1 A 24 24 ASN HA H 24 4.055 4.587 -0.532 1
1 225 . 10 1 1 A 24 24 ASN C C 24 173.702 173.972 -0.270 1
1 226 . 10 1 1 A 24 24 ASN CA C 24 54.794 54.018 0.776 1
1 227 . 10 1 1 A 24 24 ASN CB C 24 37.940 36.166 1.774 1
1 228 . 10 1 1 A 24 24 ASN N N 24 116.693 117.056 -0.363 1
1 230 . 10 1 1 A 25 25 LYS H H 25 7.604 7.496 0.108 1
1 231 . 10 1 1 A 25 25 LYS HA H 25 4.502 4.516 -0.014 1
1 240 . 10 1 1 A 25 25 LYS C C 25 174.726 175.364 -0.638 1
1 241 . 10 1 1 A 25 25 LYS CA C 25 54.565 54.314 0.251 1
1 242 . 10 1 1 A 25 25 LYS CB C 25 35.143 34.444 0.699 1
1 246 . 10 1 1 A 25 25 LYS N N 25 116.646 119.051 -2.405 1
1 247 . 10 1 1 A 26 26 PHE H H 26 8.361 8.377 -0.016 1
1 248 . 10 1 1 A 26 26 PHE HA H 26 5.005 4.555 0.450 1
1 256 . 10 1 1 A 26 26 PHE C C 26 176.228 175.901 0.327 1
1 257 . 10 1 1 A 26 26 PHE CA C 26 58.236 59.115 -0.879 1
1 258 . 10 1 1 A 26 26 PHE CB C 26 41.148 39.254 1.894 1
1 264 . 10 1 1 A 26 26 PHE N N 26 118.446 121.280 -2.834 1
1 265 . 10 1 1 A 27 27 TYR H H 27 8.851 9.028 -0.177 1
1 266 . 10 1 1 A 27 27 TYR HA H 27 5.045 5.338 -0.293 1
1 273 . 10 1 1 A 27 27 TYR C C 27 175.380 175.287 0.093 1
1 274 . 10 1 1 A 27 27 TYR CA C 27 56.594 56.737 -0.143 1
1 275 . 10 1 1 A 27 27 TYR CB C 27 43.856 42.322 1.534 1
1 280 . 10 1 1 A 27 27 TYR N N 27 118.823 123.169 -4.346 1
1 281 . 10 1 1 A 28 28 ARG H H 28 9.026 8.710 0.316 1
1 282 . 10 1 1 A 28 28 ARG HA H 28 4.202 3.151 1.051 1
1 290 . 10 1 1 A 28 28 ARG C C 28 175.789 175.363 0.426 1
1 291 . 10 1 1 A 28 28 ARG CA C 28 57.142 56.614 0.528 1
1 292 . 10 1 1 A 28 28 ARG CB C 28 30.291 30.991 -0.700 1
1 295 . 10 1 1 A 28 28 ARG N N 28 122.262 123.897 -1.635 1
1 297 . 10 1 1 A 29 29 ALA H H 29 9.157 8.361 0.796 1
1 298 . 10 1 1 A 29 29 ALA HA H 29 5.098 5.004 0.094 1
1 302 . 10 1 1 A 29 29 ALA C C 29 175.247 174.971 0.276 1
1 303 . 10 1 1 A 29 29 ALA CA C 29 51.188 51.285 -0.097 1
1 304 . 10 1 1 A 29 29 ALA CB C 29 23.153 22.615 0.538 1
1 305 . 10 1 1 A 29 29 ALA N N 29 126.768 126.343 0.425 1
1 306 . 10 1 1 A 30 30 GLU H H 30 8.167 8.845 -0.678 1
1 307 . 10 1 1 A 30 30 GLU HA H 30 5.085 4.722 0.363 1
1 312 . 10 1 1 A 30 30 GLU C C 30 176.265 174.859 1.406 1
1 313 . 10 1 1 A 30 30 GLU CA C 30 53.948 55.121 -1.173 1
1 314 . 10 1 1 A 30 30 GLU CB C 30 33.622 33.697 -0.075 1
1 316 . 10 1 1 A 30 30 GLU N N 30 118.036 118.391 -0.355 1
1 317 . 10 1 1 A 31 31 VAL H H 31 8.961 8.770 0.191 1
1 318 . 10 1 1 A 31 31 VAL HA H 31 3.545 3.920 -0.375 1
1 326 . 10 1 1 A 31 31 VAL C C 31 175.369 176.004 -0.635 1
1 327 . 10 1 1 A 31 31 VAL CA C 31 64.571 63.330 1.241 1
1 328 . 10 1 1 A 31 31 VAL CB C 31 31.678 30.987 0.691 1
1 331 . 10 1 1 A 31 31 VAL N N 31 124.010 127.209 -3.199 1
1 332 . 10 1 1 A 32 32 GLU H H 32 9.483 9.303 0.180 1
1 333 . 10 1 1 A 32 32 GLU HA H 32 4.627 4.317 0.310 1
1 338 . 10 1 1 A 32 32 GLU C C 32 175.695 176.241 -0.546 1
1 339 . 10 1 1 A 32 32 GLU CA C 32 56.841 58.339 -1.498 1
1 340 . 10 1 1 A 32 32 GLU CB C 32 30.661 30.574 0.087 1
1 342 . 10 1 1 A 32 32 GLU N N 32 130.912 129.556 1.356 1
1 343 . 10 1 1 A 33 33 ALA H H 33 7.838 7.504 0.334 1
1 344 . 10 1 1 A 33 33 ALA HA H 33 4.456 4.673 -0.217 1
1 348 . 10 1 1 A 33 33 ALA C C 33 174.956 175.729 -0.773 1
1 349 . 10 1 1 A 33 33 ALA CA C 33 51.777 51.700 0.077 1
1 350 . 10 1 1 A 33 33 ALA CB C 33 22.189 22.493 -0.304 1
1 351 . 10 1 1 A 33 33 ALA N N 33 117.714 118.902 -1.188 1
1 352 . 10 1 1 A 34 34 LEU H H 34 8.954 8.646 0.308 1
1 353 . 10 1 1 A 34 34 LEU HA H 34 4.702 4.654 0.048 1
1 363 . 10 1 1 A 34 34 LEU C C 34 176.325 176.580 -0.255 1
1 364 . 10 1 1 A 34 34 LEU CA C 34 53.559 54.213 -0.654 1
1 365 . 10 1 1 A 34 34 LEU CB C 34 42.381 42.393 -0.012 1
1 369 . 10 1 1 A 34 34 LEU N N 34 122.418 122.081 0.337 1
1 370 . 10 1 1 A 35 35 HIS H H 35 8.022 8.646 -0.624 1
1 371 . 10 1 1 A 35 35 HIS HA H 35 4.544 4.974 -0.430 1
1 376 . 10 1 1 A 35 35 HIS C C 35 178.300 175.744 2.556 1
1 377 . 10 1 1 A 35 35 HIS CA C 35 57.706 54.844 2.862 1
1 378 . 10 1 1 A 35 35 HIS CB C 35 32.594 32.308 0.286 1
1 381 . 10 1 1 A 35 35 HIS N N 35 123.729 121.566 2.163 1
1 382 . 10 1 1 A 37 37 SER H H 37 10.111 7.046 3.065 1
1 383 . 10 1 1 A 37 37 SER HA H 37 4.339 4.081 0.258 1
1 386 . 10 1 1 A 37 37 SER C C 37 176.434 174.564 1.870 1
1 387 . 10 1 1 A 37 37 SER CA C 37 59.895 60.567 -0.672 1
1 388 . 10 1 1 A 37 37 SER CB C 37 63.665 63.429 0.236 1
1 389 . 10 1 1 A 37 37 SER N N 37 119.788 114.482 5.306 1
1 390 . 10 1 1 A 38 38 GLY H H 38 8.136 7.832 0.304 1
1 391 . 10 1 1 A 38 38 GLY HA2 H 38 4.257 4.034 0.223 1
1 392 . 10 1 1 A 38 38 GLY HA3 H 38 3.981 4.059 -0.078 1
1 393 . 10 1 1 A 38 38 GLY C C 38 174.441 174.458 -0.017 1
1 394 . 10 1 1 A 38 38 GLY CA C 38 46.006 45.558 0.448 1
1 395 . 10 1 1 A 38 38 GLY N N 38 108.557 108.380 0.177 1
1 396 . 10 1 1 A 39 39 MET H H 39 8.180 8.194 -0.014 1
1 397 . 10 1 1 A 39 39 MET HA H 39 4.789 4.671 0.118 1
1 405 . 10 1 1 A 39 39 MET C C 39 177.404 176.219 1.185 1
1 406 . 10 1 1 A 39 39 MET CA C 39 55.889 56.654 -0.765 1
1 407 . 10 1 1 A 39 39 MET CB C 39 34.033 35.473 -1.440 1
1 410 . 10 1 1 A 39 39 MET N N 39 113.829 116.488 -2.659 1
1 411 . 10 1 1 A 40 40 THR H H 40 7.174 8.191 -1.017 1
1 412 . 10 1 1 A 40 40 THR HA H 40 5.182 5.046 0.136 1
1 417 . 10 1 1 A 40 40 THR C C 40 172.981 173.634 -0.653 1
1 418 . 10 1 1 A 40 40 THR CA C 40 59.559 60.226 -0.667 1
1 419 . 10 1 1 A 40 40 THR CB C 40 73.120 71.604 1.516 1
1 421 . 10 1 1 A 40 40 THR N N 40 108.160 109.561 -1.401 1
1 422 . 10 1 1 A 41 41 ALA H H 41 9.245 8.602 0.643 1
1 423 . 10 1 1 A 41 41 ALA HA H 41 4.932 4.856 0.076 1
1 427 . 10 1 1 A 41 41 ALA C C 41 175.635 176.180 -0.545 1
1 428 . 10 1 1 A 41 41 ALA CA C 41 50.417 51.566 -1.149 1
1 429 . 10 1 1 A 41 41 ALA CB C 41 22.600 23.264 -0.664 1
1 430 . 10 1 1 A 41 41 ALA N N 41 122.138 121.625 0.513 1
1 431 . 10 1 1 A 42 42 VAL H H 42 8.773 9.115 -0.342 1
1 432 . 10 1 1 A 42 42 VAL HA H 42 4.789 4.366 0.423 1
1 440 . 10 1 1 A 42 42 VAL C C 42 176.410 175.807 0.603 1
1 441 . 10 1 1 A 42 42 VAL CA C 42 62.083 62.323 -0.240 1
1 442 . 10 1 1 A 42 42 VAL CB C 42 32.776 31.442 1.334 1
1 445 . 10 1 1 A 42 42 VAL N N 42 120.320 119.898 0.422 1
1 446 . 10 1 1 A 43 43 VAL H H 43 9.224 8.631 0.593 1
1 447 . 10 1 1 A 43 43 VAL HA H 43 5.013 4.977 0.036 1
1 455 . 10 1 1 A 43 43 VAL C C 43 172.532 173.690 -1.158 1
1 456 . 10 1 1 A 43 43 VAL CA C 43 57.812 58.929 -1.117 1
1 457 . 10 1 1 A 43 43 VAL CB C 43 34.280 34.430 -0.150 1
1 460 . 10 1 1 A 43 43 VAL N N 43 121.151 122.500 -1.349 1
1 461 . 10 1 1 A 44 44 LYS H H 44 8.645 8.967 -0.322 1
1 462 . 10 1 1 A 44 44 LYS HA H 44 4.627 4.802 -0.175 1
1 471 . 10 1 1 A 44 44 LYS C C 44 177.419 175.125 2.294 1
1 472 . 10 1 1 A 44 44 LYS CA C 44 53.612 54.494 -0.882 1
1 473 . 10 1 1 A 44 44 LYS CB C 44 35.143 34.851 0.292 1
1 477 . 10 1 1 A 44 44 LYS N N 44 121.425 122.966 -1.541 1
1 478 . 10 1 1 A 45 45 PHE H H 45 8.823 8.835 -0.012 1
1 479 . 10 1 1 A 45 45 PHE HA H 45 4.505 4.588 -0.083 1
1 487 . 10 1 1 A 45 45 PHE C C 45 177.585 176.416 1.169 1
1 488 . 10 1 1 A 45 45 PHE CA C 45 59.841 57.939 1.902 1
1 489 . 10 1 1 A 45 45 PHE CB C 45 38.598 39.396 -0.798 1
1 495 . 10 1 1 A 45 45 PHE N N 45 128.232 125.882 2.350 1
1 496 . 10 1 1 A 46 46 THR H H 46 8.281 8.900 -0.619 1
1 497 . 10 1 1 A 46 46 THR HA H 46 3.738 3.989 -0.251 1
1 502 . 10 1 1 A 46 46 THR C C 46 176.410 176.122 0.288 1
1 503 . 10 1 1 A 46 46 THR CA C 46 65.930 65.481 0.449 1
1 504 . 10 1 1 A 46 46 THR CB C 46 68.743 68.748 -0.005 1
1 506 . 10 1 1 A 46 46 THR N N 46 120.729 120.765 -0.036 1
1 507 . 10 1 1 A 47 47 ASP H H 47 9.166 8.437 0.729 1
1 508 . 10 1 1 A 47 47 ASP HA H 47 4.300 3.956 0.344 1
1 511 . 10 1 1 A 47 47 ASP C C 47 176.844 177.003 -0.159 1
1 512 . 10 1 1 A 47 47 ASP CA C 47 57.283 57.262 0.021 1
1 513 . 10 1 1 A 47 47 ASP CB C 47 40.037 40.068 -0.031 1
1 514 . 10 1 1 A 47 47 ASP N N 47 120.635 120.370 0.265 1
1 515 . 10 1 1 A 48 48 TYR H H 48 7.676 7.541 0.135 1
1 516 . 10 1 1 A 48 48 TYR HA H 48 4.605 4.630 -0.025 1
1 523 . 10 1 1 A 48 48 TYR C C 48 177.343 176.117 1.226 1
1 524 . 10 1 1 A 48 48 TYR CA C 48 57.777 58.051 -0.274 1
1 525 . 10 1 1 A 48 48 TYR CB C 48 39.914 40.849 -0.935 1
1 530 . 10 1 1 A 48 48 TYR N N 48 114.763 113.761 1.002 1
1 531 . 10 1 1 A 49 49 GLY H H 49 8.065 8.648 -0.583 1
1 532 . 10 1 1 A 49 49 GLY HA2 H 49 4.023 3.975 0.048 1
1 533 . 10 1 1 A 49 49 GLY HA3 H 49 3.571 3.980 -0.409 1
1 534 . 10 1 1 A 49 49 GLY C C 49 172.707 174.157 -1.450 1
1 535 . 10 1 1 A 49 49 GLY CA C 49 46.165 45.642 0.523 1
1 536 . 10 1 1 A 49 49 GLY N N 49 107.679 108.862 -1.183 1
1 537 . 10 1 1 A 50 50 ASN H H 50 8.836 8.123 0.713 1
1 538 . 10 1 1 A 50 50 ASN HA H 50 4.777 5.058 -0.281 1
1 543 . 10 1 1 A 50 50 ASN C C 50 173.696 173.838 -0.142 1
1 544 . 10 1 1 A 50 50 ASN CA C 50 52.747 51.743 1.004 1
1 545 . 10 1 1 A 50 50 ASN CB C 50 37.710 40.849 -3.139 1
1 546 . 10 1 1 A 50 50 ASN N N 50 114.795 116.807 -2.012 1
1 548 . 10 1 1 A 51 51 TYR H H 51 8.726 8.607 0.119 1
1 549 . 10 1 1 A 51 51 TYR HA H 51 5.696 4.986 0.710 1
1 556 . 10 1 1 A 51 51 TYR C C 51 176.871 175.574 1.297 1
1 557 . 10 1 1 A 51 51 TYR CA C 51 56.789 58.089 -1.300 1
1 558 . 10 1 1 A 51 51 TYR CB C 51 40.037 39.974 0.063 1
1 563 . 10 1 1 A 51 51 TYR N N 51 120.703 121.520 -0.817 1
1 564 . 10 1 1 A 52 52 GLU H H 52 8.995 8.933 0.062 1
1 565 . 10 1 1 A 52 52 GLU HA H 52 4.981 5.010 -0.029 1
1 570 . 10 1 1 A 52 52 GLU C C 52 174.629 175.020 -0.391 1
1 571 . 10 1 1 A 52 52 GLU CA C 52 54.070 55.518 -1.448 1
1 572 . 10 1 1 A 52 52 GLU CB C 52 34.814 33.900 0.914 1
1 574 . 10 1 1 A 52 52 GLU N N 52 118.929 121.560 -2.631 1
1 575 . 10 1 1 A 53 53 GLU H H 53 8.995 8.800 0.195 1
1 576 . 10 1 1 A 53 53 GLU HA H 53 5.175 4.603 0.572 1
1 581 . 10 1 1 A 53 53 GLU C C 53 176.301 175.361 0.940 1
1 582 . 10 1 1 A 53 53 GLU CA C 53 55.500 56.404 -0.904 1
1 583 . 10 1 1 A 53 53 GLU CB C 53 30.537 30.282 0.255 1
1 585 . 10 1 1 A 53 53 GLU N N 53 122.819 124.895 -2.076 1
1 586 . 10 1 1 A 54 54 VAL H H 54 9.375 8.274 1.101 1
1 587 . 10 1 1 A 54 54 VAL HA H 54 4.739 4.761 -0.022 1
1 595 . 10 1 1 A 54 54 VAL C C 54 175.017 174.838 0.179 1
1 596 . 10 1 1 A 54 54 VAL CA C 54 59.647 60.553 -0.906 1
1 597 . 10 1 1 A 54 54 VAL CB C 54 36.171 36.026 0.145 1
1 600 . 10 1 1 A 54 54 VAL N N 54 125.177 127.065 -1.888 1
1 601 . 10 1 1 A 55 55 LEU H H 55 8.744 8.531 0.213 1
1 602 . 10 1 1 A 55 55 LEU HA H 55 4.500 4.456 0.044 1
1 612 . 10 1 1 A 55 55 LEU C C 55 179.440 178.354 1.086 1
1 613 . 10 1 1 A 55 55 LEU CA C 55 55.495 54.864 0.631 1
1 614 . 10 1 1 A 55 55 LEU CB C 55 42.628 42.094 0.534 1
1 618 . 10 1 1 A 55 55 LEU N N 55 123.920 125.712 -1.792 1
1 619 . 10 1 1 A 56 56 LEU H H 56 8.324 9.130 -0.806 1
1 620 . 10 1 1 A 56 56 LEU HA H 56 3.855 4.154 -0.299 1
1 630 . 10 1 1 A 56 56 LEU C C 56 178.810 178.520 0.290 1
1 631 . 10 1 1 A 56 56 LEU CA C 56 57.883 57.467 0.416 1
1 632 . 10 1 1 A 56 56 LEU CB C 56 41.330 41.836 -0.506 1
1 636 . 10 1 1 A 56 56 LEU N N 56 123.383 122.893 0.490 1
1 637 . 10 1 1 A 57 57 SER H H 57 7.886 8.116 -0.230 1
1 638 . 10 1 1 A 57 57 SER HA H 57 4.364 4.528 -0.164 1
1 641 . 10 1 1 A 57 57 SER C C 57 174.944 175.114 -0.170 1
1 642 . 10 1 1 A 57 57 SER CA C 57 59.859 60.211 -0.352 1
1 643 . 10 1 1 A 57 57 SER CB C 57 62.509 63.608 -1.099 1
1 644 . 10 1 1 A 57 57 SER N N 57 109.927 112.943 -3.016 1
1 645 . 10 1 1 A 58 58 ASN H H 58 8.085 8.281 -0.196 1
1 646 . 10 1 1 A 58 58 ASN HA H 58 5.275 5.067 0.208 1
1 651 . 10 1 1 A 58 58 ASN C C 58 172.402 173.878 -1.476 1
1 652 . 10 1 1 A 58 58 ASN CA C 58 52.535 53.231 -0.696 1
1 653 . 10 1 1 A 58 58 ASN CB C 58 39.585 39.233 0.352 1
1 654 . 10 1 1 A 58 58 ASN N N 58 120.812 118.504 2.308 1
1 656 . 10 1 1 A 59 59 ILE H H 59 7.291 7.710 -0.419 1
1 657 . 10 1 1 A 59 59 ILE HA H 59 5.125 5.299 -0.174 1
1 667 . 10 1 1 A 59 59 ILE C C 59 174.980 174.817 0.163 1
1 668 . 10 1 1 A 59 59 ILE CA C 59 60.659 59.888 0.771 1
1 669 . 10 1 1 A 59 59 ILE CB C 59 39.996 40.684 -0.688 1
1 673 . 10 1 1 A 59 59 ILE N N 59 115.444 121.706 -6.262 1
1 674 . 10 1 1 A 60 60 LYS H H 60 9.366 8.963 0.403 1
1 675 . 10 1 1 A 60 60 LYS HA H 60 5.300 4.904 0.396 1
1 684 . 10 1 1 A 60 60 LYS C C 60 173.381 174.295 -0.914 1
1 685 . 10 1 1 A 60 60 LYS CA C 60 52.977 52.586 0.391 1
1 686 . 10 1 1 A 60 60 LYS CB C 60 34.814 34.362 0.452 1
1 690 . 10 1 1 A 60 60 LYS N N 60 122.819 127.020 -4.201 1
1 691 . 10 1 1 A 61 61 PRO HA H 61 5.027 5.159 -0.132 1
1 698 . 10 1 1 A 61 61 PRO C C 61 176.256 175.538 0.718 1
1 699 . 10 1 1 A 61 61 PRO CA C 61 62.754 62.737 0.017 1
1 700 . 10 1 1 A 61 61 PRO CB C 61 32.594 32.410 0.184 1
1 703 . 10 1 1 A 62 62 VAL H H 62 8.525 8.619 -0.094 1
1 704 . 10 1 1 A 62 62 VAL HA H 62 3.969 4.774 -0.805 1
1 712 . 10 1 1 A 62 62 VAL C C 62 176.192 175.147 1.045 1
1 713 . 10 1 1 A 62 62 VAL CA C 62 62.895 60.081 2.814 1
1 714 . 10 1 1 A 62 62 VAL CB C 62 32.059 34.338 -2.279 1
1 717 . 10 1 1 A 62 62 VAL N N 62 117.807 122.685 -4.878 1
1 718 . 10 1 1 A 63 63 GLN H H 63 7.815 8.512 -0.697 1
1 719 . 10 1 1 A 63 63 GLN HA H 63 4.415 4.524 -0.109 1
1 726 . 10 1 1 A 63 63 GLN C C 63 175.716 176.010 -0.294 1
1 727 . 10 1 1 A 63 63 GLN CA C 63 55.535 56.059 -0.524 1
1 728 . 10 1 1 A 63 63 GLN CB C 63 29.468 29.506 -0.038 1
1 730 . 10 1 1 A 63 63 GLN N N 63 122.188 126.609 -4.421 1
1 732 . 10 1 1 A 64 64 THR H H 64 8.185 8.489 -0.304 1
1 733 . 10 1 1 A 64 64 THR HA H 64 4.154 4.421 -0.267 1
1 738 . 10 1 1 A 64 64 THR C C 64 174.616 174.546 0.070 1
1 739 . 10 1 1 A 64 64 THR CA C 64 62.277 62.698 -0.421 1
1 740 . 10 1 1 A 64 64 THR CB C 64 69.565 69.143 0.422 1
1 742 . 10 1 1 A 64 64 THR N N 64 116.169 116.563 -0.394 1
1 743 . 10 1 1 A 65 65 GLU H H 65 8.460 8.640 -0.180 1
1 744 . 10 1 1 A 65 65 GLU HA H 65 4.174 4.581 -0.407 1
1 749 . 10 1 1 A 65 65 GLU C C 65 176.216 175.906 0.310 1
1 750 . 10 1 1 A 65 65 GLU CA C 65 56.647 56.338 0.309 1
1 751 . 10 1 1 A 65 65 GLU CB C 65 30.044 28.629 1.415 1
1 753 . 10 1 1 A 65 65 GLU N N 65 123.014 127.425 -4.411 1
1 754 . 10 1 1 A 66 66 ALA H H 66 8.245 8.526 -0.281 1
1 755 . 10 1 1 A 66 66 ALA HA H 66 4.205 4.553 -0.348 1
1 759 . 10 1 1 A 66 66 ALA C C 66 177.258 176.858 0.400 1
1 760 . 10 1 1 A 66 66 ALA CA C 66 52.730 51.354 1.376 1
1 761 . 10 1 1 A 66 66 ALA CB C 66 19.064 18.044 1.020 1
1 762 . 10 1 1 A 66 66 ALA N N 66 124.251 125.633 -1.382 1
1 763 . 10 1 1 A 67 67 TRP H H 67 7.875 7.941 -0.066 1
1 764 . 10 1 1 A 67 67 TRP HA H 67 4.609 4.589 0.020 1
1 772 . 10 1 1 A 67 67 TRP C C 67 175.889 176.727 -0.838 1
1 773 . 10 1 1 A 67 67 TRP CA C 67 57.106 58.613 -1.507 1
1 774 . 10 1 1 A 67 67 TRP CB C 67 29.427 30.271 -0.844 1
1 779 . 10 1 1 A 67 67 TRP N N 67 119.568 121.179 -1.611 1
1 781 . 10 1 1 A 68 68 VAL H H 68 7.815 8.226 -0.411 1
1 782 . 10 1 1 A 68 68 VAL HA H 68 3.917 3.919 -0.002 1
1 790 . 10 1 1 A 68 68 VAL C C 68 175.368 176.072 -0.704 1
1 791 . 10 1 1 A 68 68 VAL CA C 68 62.189 63.380 -1.191 1
1 792 . 10 1 1 A 68 68 VAL CB C 68 32.981 31.448 1.533 1
1 795 . 10 1 1 A 68 68 VAL N N 68 122.485 124.569 -2.084 1
1 796 . 10 1 1 A 69 69 ARG H H 69 8.084 8.800 -0.716 1
1 797 . 10 1 1 A 69 69 ARG HA H 69 4.107 4.666 -0.559 1
1 804 . 10 1 1 A 69 69 ARG C C 69 175.465 175.582 -0.117 1
1 805 . 10 1 1 A 69 69 ARG CA C 69 55.841 56.422 -0.581 1
1 806 . 10 1 1 A 69 69 ARG CB C 69 30.949 30.762 0.187 1
1 809 . 10 1 1 A 69 69 ARG N N 69 124.540 128.291 -3.751 1
1 810 . 10 1 1 A 70 70 ASP H H 70 8.365 8.557 -0.192 1
1 811 . 10 1 1 A 70 70 ASP HA H 70 4.780 5.103 -0.323 1
1 814 . 10 1 1 A 70 70 ASP C C 70 175.319 174.979 0.340 1
1 815 . 10 1 1 A 70 70 ASP CA C 70 51.882 51.968 -0.086 1
1 816 . 10 1 1 A 70 70 ASP CB C 70 41.312 41.749 -0.437 1
1 817 . 10 1 1 A 70 70 ASP N N 70 123.498 125.510 -2.012 1
1 818 . 10 1 1 A 71 71 PRO HA H 71 4.355 4.637 -0.282 1
1 825 . 10 1 1 A 71 71 PRO C C 71 177.091 175.344 1.747 1
1 826 . 10 1 1 A 71 71 PRO CA C 71 63.777 62.292 1.485 1
1 827 . 10 1 1 A 71 71 PRO CB C 71 32.118 33.077 -0.959 1
1 830 . 10 1 1 A 72 72 ASN H H 72 8.521 8.524 -0.003 1
1 831 . 10 1 1 A 72 72 ASN HA H 72 4.764 5.025 -0.261 1
1 836 . 10 1 1 A 72 72 ASN C C 72 175.312 175.373 -0.061 1
1 837 . 10 1 1 A 72 72 ASN CA C 72 53.471 52.555 0.916 1
1 838 . 10 1 1 A 72 72 ASN CB C 72 38.869 38.159 0.710 1
1 839 . 10 1 1 A 72 72 ASN N N 72 117.256 119.589 -2.333 1
1 841 . 10 1 1 A 73 73 SER H H 73 7.937 8.679 -0.742 1
1 842 . 10 1 1 A 73 73 SER HA H 73 4.429 4.821 -0.392 1
1 845 . 10 1 1 A 73 73 SER C C 73 174.532 175.099 -0.567 1
1 846 . 10 1 1 A 73 73 SER CA C 73 58.642 57.551 1.091 1
1 847 . 10 1 1 A 73 73 SER CB C 73 64.137 65.675 -1.538 1
1 848 . 10 1 1 A 73 73 SER N N 73 115.503 118.497 -2.994 1
1 849 . 10 1 1 A 74 74 GLY H H 74 8.206 8.421 -0.215 1
1 850 . 10 1 1 A 74 74 GLY HA2 H 74 4.071 4.061 0.010 1
1 851 . 10 1 1 A 74 74 GLY HA3 H 74 4.123 4.062 0.061 1
1 852 . 10 1 1 A 74 74 GLY C C 74 171.781 173.235 -1.454 1
1 853 . 10 1 1 A 74 74 GLY CA C 74 44.682 44.283 0.399 1
1 854 . 10 1 1 A 74 74 GLY N N 74 110.659 107.812 2.847 1
1 855 . 10 1 1 A 75 75 PRO HA H 75 4.446 4.703 -0.257 1
1 862 . 10 1 1 A 75 75 PRO C C 75 177.407 175.901 1.506 1
1 863 . 10 1 1 A 75 75 PRO CA C 75 63.212 62.527 0.685 1
1 864 . 10 1 1 A 75 75 PRO CB C 75 32.182 30.104 2.078 1
1 867 . 10 1 1 A 76 76 SER H H 76 8.504 8.016 0.488 1
1 868 . 10 1 1 A 76 76 SER HA H 76 4.489 5.005 -0.516 1
1 871 . 10 1 1 A 76 76 SER C C 76 174.677 172.586 2.091 1
1 872 . 10 1 1 A 76 76 SER CA C 76 58.359 57.495 0.864 1
1 873 . 10 1 1 A 76 76 SER CB C 76 64.013 66.215 -2.202 1
1 874 . 10 1 1 A 76 76 SER N N 76 116.388 114.272 2.116 1
1 875 . 10 1 1 A 77 77 SER H H 77 8.312 8.918 -0.606 1
1 876 . 10 1 1 A 77 77 SER C C 77 173.914 174.022 -0.108 1
1 877 . 10 1 1 A 77 77 SER CA C 77 58.342 58.399 -0.057 1
1 878 . 10 1 1 A 77 77 SER CB C 77 64.013 64.052 -0.039 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.892 4.081 -0.189 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.892 4.088 -0.196 1
1 3 . 11 1 1 A 7 7 GLY C C 7 173.405 173.982 -0.577 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.070 46.013 -0.943 1
1 5 . 11 1 1 A 8 8 LYS H H 8 7.913 7.842 0.071 1
1 6 . 11 1 1 A 8 8 LYS HA H 8 4.031 4.100 -0.069 1
1 15 . 11 1 1 A 8 8 LYS C C 8 175.501 175.826 -0.325 1
1 16 . 11 1 1 A 8 8 LYS CA C 8 55.765 55.997 -0.232 1
1 17 . 11 1 1 A 8 8 LYS CB C 8 33.046 32.551 0.495 1
1 21 . 11 1 1 A 8 8 LYS N N 8 121.849 123.015 -1.166 1
1 22 . 11 1 1 A 9 9 VAL H H 9 8.175 8.352 -0.177 1
1 23 . 11 1 1 A 9 9 VAL HA H 9 4.082 4.358 -0.276 1
1 31 . 11 1 1 A 9 9 VAL C C 9 175.680 175.135 0.545 1
1 32 . 11 1 1 A 9 9 VAL CA C 9 61.571 61.889 -0.318 1
1 33 . 11 1 1 A 9 9 VAL CB C 9 32.224 31.739 0.485 1
1 36 . 11 1 1 A 9 9 VAL N N 9 125.536 127.111 -1.575 1
1 37 . 11 1 1 A 10 10 TRP H H 10 8.125 9.157 -1.032 1
1 38 . 11 1 1 A 10 10 TRP HA H 10 4.667 5.463 -0.796 1
1 47 . 11 1 1 A 10 10 TRP C C 10 174.859 175.638 -0.779 1
1 48 . 11 1 1 A 10 10 TRP CA C 10 57.088 55.841 1.247 1
1 49 . 11 1 1 A 10 10 TRP CB C 10 31.730 33.151 -1.421 1
1 55 . 11 1 1 A 10 10 TRP N N 10 127.817 129.437 -1.620 1
1 57 . 11 1 1 A 11 11 LYS H H 11 9.090 8.976 0.114 1
1 58 . 11 1 1 A 11 11 LYS HA H 11 4.856 4.905 -0.049 1
1 67 . 11 1 1 A 11 11 LYS C C 11 172.968 174.079 -1.111 1
1 68 . 11 1 1 A 11 11 LYS CA C 11 53.330 53.221 0.109 1
1 69 . 11 1 1 A 11 11 LYS CB C 11 33.827 35.785 -1.958 1
1 73 . 11 1 1 A 11 11 LYS N N 11 120.688 120.009 0.679 1
1 74 . 11 1 1 A 12 12 PRO HA H 12 3.894 4.450 -0.556 1
1 81 . 11 1 1 A 12 12 PRO C C 12 177.287 177.595 -0.308 1
1 82 . 11 1 1 A 12 12 PRO CA C 12 63.812 63.740 0.072 1
1 83 . 11 1 1 A 12 12 PRO CB C 12 31.278 31.265 0.013 1
1 86 . 11 1 1 A 13 13 GLY H H 13 9.494 8.823 0.671 1
1 87 . 11 1 1 A 13 13 GLY HA2 H 13 4.431 4.038 0.393 1
1 88 . 11 1 1 A 13 13 GLY HA3 H 13 3.746 4.038 -0.292 1
1 89 . 11 1 1 A 13 13 GLY C C 13 174.798 173.475 1.323 1
1 90 . 11 1 1 A 13 13 GLY CA C 13 44.559 45.335 -0.776 1
1 91 . 11 1 1 A 13 13 GLY N N 13 114.764 112.685 2.079 1
1 92 . 11 1 1 A 14 14 ASP H H 14 8.005 7.992 0.013 1
1 93 . 11 1 1 A 14 14 ASP HA H 14 4.665 5.079 -0.414 1
1 96 . 11 1 1 A 14 14 ASP C C 14 176.143 175.560 0.583 1
1 97 . 11 1 1 A 14 14 ASP CA C 14 55.553 53.170 2.383 1
1 98 . 11 1 1 A 14 14 ASP CB C 14 41.600 43.514 -1.914 1
1 99 . 11 1 1 A 14 14 ASP N N 14 121.257 119.869 1.388 1
1 100 . 11 1 1 A 15 15 GLU H H 15 8.645 8.827 -0.182 1
1 101 . 11 1 1 A 15 15 GLU HA H 15 4.852 4.793 0.059 1
1 106 . 11 1 1 A 15 15 GLU C C 15 175.679 176.283 -0.604 1
1 107 . 11 1 1 A 15 15 GLU CA C 15 55.783 56.650 -0.867 1
1 108 . 11 1 1 A 15 15 GLU CB C 15 31.295 29.950 1.345 1
1 110 . 11 1 1 A 15 15 GLU N N 15 121.409 123.405 -1.996 1
1 111 . 11 1 1 A 16 16 CYS H H 16 8.735 9.288 -0.553 1
1 112 . 11 1 1 A 16 16 CYS HA H 16 5.086 5.222 -0.136 1
1 115 . 11 1 1 A 16 16 CYS C C 16 172.636 173.110 -0.474 1
1 116 . 11 1 1 A 16 16 CYS CA C 16 56.418 56.631 -0.213 1
1 117 . 11 1 1 A 16 16 CYS CB C 16 32.553 30.931 1.622 1
1 118 . 11 1 1 A 16 16 CYS N N 16 116.207 121.224 -5.017 1
1 119 . 11 1 1 A 17 17 PHE H H 17 9.125 9.309 -0.184 1
1 120 . 11 1 1 A 17 17 PHE HA H 17 5.235 5.621 -0.386 1
1 128 . 11 1 1 A 17 17 PHE C C 17 174.823 174.920 -0.097 1
1 129 . 11 1 1 A 17 17 PHE CA C 17 57.547 57.105 0.442 1
1 130 . 11 1 1 A 17 17 PHE CB C 17 42.053 40.341 1.712 1
1 136 . 11 1 1 A 17 17 PHE N N 17 116.836 120.563 -3.727 1
1 137 . 11 1 1 A 18 18 ALA H H 18 9.373 9.045 0.328 1
1 138 . 11 1 1 A 18 18 ALA HA H 18 5.552 5.383 0.169 1
1 142 . 11 1 1 A 18 18 ALA C C 18 175.841 176.124 -0.283 1
1 143 . 11 1 1 A 18 18 ALA CA C 18 50.147 50.148 -0.001 1
1 144 . 11 1 1 A 18 18 ALA CB C 18 23.798 21.190 2.608 1
1 145 . 11 1 1 A 18 18 ALA N N 18 122.751 127.353 -4.602 1
1 146 . 11 1 1 A 19 19 LEU H H 19 7.487 8.435 -0.948 1
1 147 . 11 1 1 A 19 19 LEU HA H 19 3.514 4.627 -1.113 1
1 157 . 11 1 1 A 19 19 LEU C C 19 175.598 176.465 -0.867 1
1 158 . 11 1 1 A 19 19 LEU CA C 19 55.165 55.732 -0.567 1
1 159 . 11 1 1 A 19 19 LEU CB C 19 43.656 42.469 1.187 1
1 163 . 11 1 1 A 19 19 LEU N N 19 123.529 125.941 -2.412 1
1 164 . 11 1 1 A 20 20 TYR H H 20 9.405 8.663 0.742 1
1 165 . 11 1 1 A 20 20 TYR HA H 20 4.939 4.713 0.226 1
1 172 . 11 1 1 A 20 20 TYR C C 20 176.593 177.096 -0.503 1
1 173 . 11 1 1 A 20 20 TYR CA C 20 55.201 59.269 -4.068 1
1 174 . 11 1 1 A 20 20 TYR CB C 20 37.899 39.101 -1.202 1
1 179 . 11 1 1 A 20 20 TYR N N 20 132.207 126.932 5.275 1
1 180 . 11 1 1 A 21 21 TRP H H 21 8.475 7.934 0.541 1
1 181 . 11 1 1 A 21 21 TRP HA H 21 4.087 4.575 -0.488 1
1 190 . 11 1 1 A 21 21 TRP C C 21 177.283 176.577 0.706 1
1 191 . 11 1 1 A 21 21 TRP CA C 21 58.695 57.506 1.189 1
1 192 . 11 1 1 A 21 21 TRP CB C 21 28.111 29.845 -1.734 1
1 198 . 11 1 1 A 21 21 TRP N N 21 128.228 126.178 2.050 1
1 200 . 11 1 1 A 22 22 GLU H H 22 4.195 6.949 -2.754 1
1 201 . 11 1 1 A 22 22 GLU HA H 22 2.895 4.126 -1.231 1
1 206 . 11 1 1 A 22 22 GLU C C 22 176.342 176.738 -0.396 1
1 207 . 11 1 1 A 22 22 GLU CA C 22 59.753 55.865 3.888 1
1 208 . 11 1 1 A 22 22 GLU CB C 22 29.468 30.140 -0.672 1
1 210 . 11 1 1 A 22 22 GLU N N 22 117.591 118.902 -1.311 1
1 211 . 11 1 1 A 23 23 ASP H H 23 6.695 7.749 -1.054 1
1 212 . 11 1 1 A 23 23 ASP HA H 23 4.554 4.772 -0.218 1
1 215 . 11 1 1 A 23 23 ASP C C 23 176.047 175.716 0.331 1
1 216 . 11 1 1 A 23 23 ASP CA C 23 51.970 53.856 -1.886 1
1 217 . 11 1 1 A 23 23 ASP CB C 23 41.353 43.118 -1.765 1
1 218 . 11 1 1 A 23 23 ASP N N 23 112.180 116.392 -4.212 1
1 219 . 11 1 1 A 24 24 ASN H H 24 8.248 7.760 0.488 1
1 220 . 11 1 1 A 24 24 ASN HA H 24 4.055 4.555 -0.500 1
1 225 . 11 1 1 A 24 24 ASN C C 24 173.702 173.662 0.040 1
1 226 . 11 1 1 A 24 24 ASN CA C 24 54.794 54.334 0.460 1
1 227 . 11 1 1 A 24 24 ASN CB C 24 37.940 36.779 1.161 1
1 228 . 11 1 1 A 24 24 ASN N N 24 116.693 115.154 1.539 1
1 230 . 11 1 1 A 25 25 LYS H H 25 7.604 7.524 0.080 1
1 231 . 11 1 1 A 25 25 LYS HA H 25 4.502 4.472 0.030 1
1 240 . 11 1 1 A 25 25 LYS C C 25 174.726 175.289 -0.563 1
1 241 . 11 1 1 A 25 25 LYS CA C 25 54.565 54.220 0.345 1
1 242 . 11 1 1 A 25 25 LYS CB C 25 35.143 34.162 0.981 1
1 246 . 11 1 1 A 25 25 LYS N N 25 116.646 117.590 -0.944 1
1 247 . 11 1 1 A 26 26 PHE H H 26 8.361 8.367 -0.006 1
1 248 . 11 1 1 A 26 26 PHE HA H 26 5.005 4.603 0.402 1
1 256 . 11 1 1 A 26 26 PHE C C 26 176.228 175.768 0.460 1
1 257 . 11 1 1 A 26 26 PHE CA C 26 58.236 58.760 -0.524 1
1 258 . 11 1 1 A 26 26 PHE CB C 26 41.148 39.405 1.743 1
1 264 . 11 1 1 A 26 26 PHE N N 26 118.446 120.858 -2.412 1
1 265 . 11 1 1 A 27 27 TYR H H 27 8.851 8.699 0.152 1
1 266 . 11 1 1 A 27 27 TYR HA H 27 5.045 4.843 0.202 1
1 273 . 11 1 1 A 27 27 TYR C C 27 175.380 174.591 0.789 1
1 274 . 11 1 1 A 27 27 TYR CA C 27 56.594 56.313 0.281 1
1 275 . 11 1 1 A 27 27 TYR CB C 27 43.856 42.464 1.392 1
1 280 . 11 1 1 A 27 27 TYR N N 27 118.823 122.051 -3.228 1
1 281 . 11 1 1 A 28 28 ARG H H 28 9.026 8.149 0.877 1
1 282 . 11 1 1 A 28 28 ARG HA H 28 4.202 3.458 0.744 1
1 290 . 11 1 1 A 28 28 ARG C C 28 175.789 175.458 0.331 1
1 291 . 11 1 1 A 28 28 ARG CA C 28 57.142 56.684 0.458 1
1 292 . 11 1 1 A 28 28 ARG CB C 28 30.291 31.061 -0.770 1
1 295 . 11 1 1 A 28 28 ARG N N 28 122.262 123.068 -0.806 1
1 297 . 11 1 1 A 29 29 ALA H H 29 9.157 8.512 0.645 1
1 298 . 11 1 1 A 29 29 ALA HA H 29 5.098 5.068 0.030 1
1 302 . 11 1 1 A 29 29 ALA C C 29 175.247 175.106 0.141 1
1 303 . 11 1 1 A 29 29 ALA CA C 29 51.188 51.250 -0.062 1
1 304 . 11 1 1 A 29 29 ALA CB C 29 23.153 22.905 0.248 1
1 305 . 11 1 1 A 29 29 ALA N N 29 126.768 127.128 -0.360 1
1 306 . 11 1 1 A 30 30 GLU H H 30 8.167 8.766 -0.599 1
1 307 . 11 1 1 A 30 30 GLU HA H 30 5.085 4.987 0.098 1
1 312 . 11 1 1 A 30 30 GLU C C 30 176.265 175.123 1.142 1
1 313 . 11 1 1 A 30 30 GLU CA C 30 53.948 55.182 -1.234 1
1 314 . 11 1 1 A 30 30 GLU CB C 30 33.622 33.244 0.378 1
1 316 . 11 1 1 A 30 30 GLU N N 30 118.036 118.348 -0.312 1
1 317 . 11 1 1 A 31 31 VAL H H 31 8.961 9.193 -0.232 1
1 318 . 11 1 1 A 31 31 VAL HA H 31 3.545 3.899 -0.354 1
1 326 . 11 1 1 A 31 31 VAL C C 31 175.369 176.014 -0.645 1
1 327 . 11 1 1 A 31 31 VAL CA C 31 64.571 63.258 1.313 1
1 328 . 11 1 1 A 31 31 VAL CB C 31 31.678 31.117 0.561 1
1 331 . 11 1 1 A 31 31 VAL N N 31 124.010 127.418 -3.408 1
1 332 . 11 1 1 A 32 32 GLU H H 32 9.483 9.324 0.159 1
1 333 . 11 1 1 A 32 32 GLU HA H 32 4.627 4.253 0.374 1
1 338 . 11 1 1 A 32 32 GLU C C 32 175.695 176.252 -0.557 1
1 339 . 11 1 1 A 32 32 GLU CA C 32 56.841 58.458 -1.617 1
1 340 . 11 1 1 A 32 32 GLU CB C 32 30.661 30.666 -0.005 1
1 342 . 11 1 1 A 32 32 GLU N N 32 130.912 129.383 1.529 1
1 343 . 11 1 1 A 33 33 ALA H H 33 7.838 7.415 0.423 1
1 344 . 11 1 1 A 33 33 ALA HA H 33 4.456 4.606 -0.150 1
1 348 . 11 1 1 A 33 33 ALA C C 33 174.956 175.470 -0.514 1
1 349 . 11 1 1 A 33 33 ALA CA C 33 51.777 51.650 0.127 1
1 350 . 11 1 1 A 33 33 ALA CB C 33 22.189 22.401 -0.212 1
1 351 . 11 1 1 A 33 33 ALA N N 33 117.714 118.458 -0.744 1
1 352 . 11 1 1 A 34 34 LEU H H 34 8.954 8.689 0.265 1
1 353 . 11 1 1 A 34 34 LEU HA H 34 4.702 4.703 -0.001 1
1 363 . 11 1 1 A 34 34 LEU C C 34 176.325 176.609 -0.284 1
1 364 . 11 1 1 A 34 34 LEU CA C 34 53.559 54.089 -0.530 1
1 365 . 11 1 1 A 34 34 LEU CB C 34 42.381 42.932 -0.551 1
1 369 . 11 1 1 A 34 34 LEU N N 34 122.418 121.577 0.841 1
1 370 . 11 1 1 A 35 35 HIS H H 35 8.022 8.170 -0.148 1
1 371 . 11 1 1 A 35 35 HIS HA H 35 4.544 4.797 -0.253 1
1 376 . 11 1 1 A 35 35 HIS C C 35 178.300 176.003 2.297 1
1 377 . 11 1 1 A 35 35 HIS CA C 35 57.706 55.972 1.734 1
1 378 . 11 1 1 A 35 35 HIS CB C 35 32.594 31.358 1.236 1
1 381 . 11 1 1 A 35 35 HIS N N 35 123.729 122.170 1.559 1
1 382 . 11 1 1 A 37 37 SER H H 37 10.111 7.594 2.517 1
1 383 . 11 1 1 A 37 37 SER HA H 37 4.339 4.258 0.081 1
1 386 . 11 1 1 A 37 37 SER C C 37 176.434 174.717 1.717 1
1 387 . 11 1 1 A 37 37 SER CA C 37 59.895 61.486 -1.591 1
1 388 . 11 1 1 A 37 37 SER CB C 37 63.665 63.855 -0.190 1
1 389 . 11 1 1 A 37 37 SER N N 37 119.788 114.665 5.123 1
1 390 . 11 1 1 A 38 38 GLY H H 38 8.136 8.115 0.021 1
1 391 . 11 1 1 A 38 38 GLY HA2 H 38 4.257 4.119 0.138 1
1 392 . 11 1 1 A 38 38 GLY HA3 H 38 3.981 4.142 -0.161 1
1 393 . 11 1 1 A 38 38 GLY C C 38 174.441 174.838 -0.397 1
1 394 . 11 1 1 A 38 38 GLY CA C 38 46.006 45.315 0.691 1
1 395 . 11 1 1 A 38 38 GLY N N 38 108.557 107.746 0.811 1
1 396 . 11 1 1 A 39 39 MET H H 39 8.180 8.218 -0.038 1
1 397 . 11 1 1 A 39 39 MET HA H 39 4.789 4.603 0.186 1
1 405 . 11 1 1 A 39 39 MET C C 39 177.404 176.298 1.106 1
1 406 . 11 1 1 A 39 39 MET CA C 39 55.889 56.556 -0.667 1
1 407 . 11 1 1 A 39 39 MET CB C 39 34.033 35.224 -1.191 1
1 410 . 11 1 1 A 39 39 MET N N 39 113.829 116.527 -2.698 1
1 411 . 11 1 1 A 40 40 THR H H 40 7.174 8.050 -0.876 1
1 412 . 11 1 1 A 40 40 THR HA H 40 5.182 5.070 0.112 1
1 417 . 11 1 1 A 40 40 THR C C 40 172.981 173.394 -0.413 1
1 418 . 11 1 1 A 40 40 THR CA C 40 59.559 59.938 -0.379 1
1 419 . 11 1 1 A 40 40 THR CB C 40 73.120 72.147 0.973 1
1 421 . 11 1 1 A 40 40 THR N N 40 108.160 109.107 -0.947 1
1 422 . 11 1 1 A 41 41 ALA H H 41 9.245 8.458 0.787 1
1 423 . 11 1 1 A 41 41 ALA HA H 41 4.932 4.878 0.054 1
1 427 . 11 1 1 A 41 41 ALA C C 41 175.635 176.063 -0.428 1
1 428 . 11 1 1 A 41 41 ALA CA C 41 50.417 51.565 -1.148 1
1 429 . 11 1 1 A 41 41 ALA CB C 41 22.600 23.061 -0.461 1
1 430 . 11 1 1 A 41 41 ALA N N 41 122.138 121.688 0.450 1
1 431 . 11 1 1 A 42 42 VAL H H 42 8.773 8.864 -0.091 1
1 432 . 11 1 1 A 42 42 VAL HA H 42 4.789 4.245 0.544 1
1 440 . 11 1 1 A 42 42 VAL C C 42 176.410 175.627 0.783 1
1 441 . 11 1 1 A 42 42 VAL CA C 42 62.083 62.750 -0.667 1
1 442 . 11 1 1 A 42 42 VAL CB C 42 32.776 31.492 1.284 1
1 445 . 11 1 1 A 42 42 VAL N N 42 120.320 121.900 -1.580 1
1 446 . 11 1 1 A 43 43 VAL H H 43 9.224 8.786 0.438 1
1 447 . 11 1 1 A 43 43 VAL HA H 43 5.013 4.867 0.146 1
1 455 . 11 1 1 A 43 43 VAL C C 43 172.532 173.740 -1.208 1
1 456 . 11 1 1 A 43 43 VAL CA C 43 57.812 58.983 -1.171 1
1 457 . 11 1 1 A 43 43 VAL CB C 43 34.280 34.447 -0.167 1
1 460 . 11 1 1 A 43 43 VAL N N 43 121.151 122.462 -1.311 1
1 461 . 11 1 1 A 44 44 LYS H H 44 8.645 8.697 -0.052 1
1 462 . 11 1 1 A 44 44 LYS HA H 44 4.627 4.936 -0.309 1
1 471 . 11 1 1 A 44 44 LYS C C 44 177.419 175.181 2.238 1
1 472 . 11 1 1 A 44 44 LYS CA C 44 53.612 54.629 -1.017 1
1 473 . 11 1 1 A 44 44 LYS CB C 44 35.143 35.039 0.104 1
1 477 . 11 1 1 A 44 44 LYS N N 44 121.425 123.619 -2.194 1
1 478 . 11 1 1 A 45 45 PHE H H 45 8.823 8.784 0.039 1
1 479 . 11 1 1 A 45 45 PHE HA H 45 4.505 4.783 -0.278 1
1 487 . 11 1 1 A 45 45 PHE C C 45 177.585 176.516 1.069 1
1 488 . 11 1 1 A 45 45 PHE CA C 45 59.841 57.509 2.332 1
1 489 . 11 1 1 A 45 45 PHE CB C 45 38.598 39.483 -0.885 1
1 495 . 11 1 1 A 45 45 PHE N N 45 128.232 126.323 1.909 1
1 496 . 11 1 1 A 46 46 THR H H 46 8.281 8.876 -0.595 1
1 497 . 11 1 1 A 46 46 THR HA H 46 3.738 4.035 -0.297 1
1 502 . 11 1 1 A 46 46 THR C C 46 176.410 175.867 0.543 1
1 503 . 11 1 1 A 46 46 THR CA C 46 65.930 65.538 0.392 1
1 504 . 11 1 1 A 46 46 THR CB C 46 68.743 68.946 -0.203 1
1 506 . 11 1 1 A 46 46 THR N N 46 120.729 120.942 -0.213 1
1 507 . 11 1 1 A 47 47 ASP H H 47 9.166 8.325 0.841 1
1 508 . 11 1 1 A 47 47 ASP HA H 47 4.300 3.975 0.325 1
1 511 . 11 1 1 A 47 47 ASP C C 47 176.844 177.110 -0.266 1
1 512 . 11 1 1 A 47 47 ASP CA C 47 57.283 57.299 -0.016 1
1 513 . 11 1 1 A 47 47 ASP CB C 47 40.037 40.087 -0.050 1
1 514 . 11 1 1 A 47 47 ASP N N 47 120.635 120.478 0.157 1
1 515 . 11 1 1 A 48 48 TYR H H 48 7.676 7.183 0.493 1
1 516 . 11 1 1 A 48 48 TYR HA H 48 4.605 4.650 -0.045 1
1 523 . 11 1 1 A 48 48 TYR C C 48 177.343 176.148 1.195 1
1 524 . 11 1 1 A 48 48 TYR CA C 48 57.777 58.409 -0.632 1
1 525 . 11 1 1 A 48 48 TYR CB C 48 39.914 40.919 -1.005 1
1 530 . 11 1 1 A 48 48 TYR N N 48 114.763 113.417 1.346 1
1 531 . 11 1 1 A 49 49 GLY H H 49 8.065 8.305 -0.240 1
1 532 . 11 1 1 A 49 49 GLY HA2 H 49 4.023 4.040 -0.017 1
1 533 . 11 1 1 A 49 49 GLY HA3 H 49 3.571 4.059 -0.488 1
1 534 . 11 1 1 A 49 49 GLY C C 49 172.707 174.291 -1.584 1
1 535 . 11 1 1 A 49 49 GLY CA C 49 46.165 45.264 0.901 1
1 536 . 11 1 1 A 49 49 GLY N N 49 107.679 107.278 0.401 1
1 537 . 11 1 1 A 50 50 ASN H H 50 8.836 8.147 0.689 1
1 538 . 11 1 1 A 50 50 ASN HA H 50 4.777 5.050 -0.273 1
1 543 . 11 1 1 A 50 50 ASN C C 50 173.696 173.841 -0.145 1
1 544 . 11 1 1 A 50 50 ASN CA C 50 52.747 51.747 1.000 1
1 545 . 11 1 1 A 50 50 ASN CB C 50 37.710 40.647 -2.937 1
1 546 . 11 1 1 A 50 50 ASN N N 50 114.795 116.812 -2.017 1
1 548 . 11 1 1 A 51 51 TYR H H 51 8.726 8.542 0.184 1
1 549 . 11 1 1 A 51 51 TYR HA H 51 5.696 4.938 0.758 1
1 556 . 11 1 1 A 51 51 TYR C C 51 176.871 175.931 0.940 1
1 557 . 11 1 1 A 51 51 TYR CA C 51 56.789 58.724 -1.935 1
1 558 . 11 1 1 A 51 51 TYR CB C 51 40.037 39.815 0.222 1
1 563 . 11 1 1 A 51 51 TYR N N 51 120.703 122.680 -1.977 1
1 564 . 11 1 1 A 52 52 GLU H H 52 8.995 9.123 -0.128 1
1 565 . 11 1 1 A 52 52 GLU HA H 52 4.981 5.020 -0.039 1
1 570 . 11 1 1 A 52 52 GLU C C 52 174.629 175.178 -0.549 1
1 571 . 11 1 1 A 52 52 GLU CA C 52 54.070 55.474 -1.404 1
1 572 . 11 1 1 A 52 52 GLU CB C 52 34.814 33.787 1.027 1
1 574 . 11 1 1 A 52 52 GLU N N 52 118.929 121.710 -2.781 1
1 575 . 11 1 1 A 53 53 GLU H H 53 8.995 8.669 0.326 1
1 576 . 11 1 1 A 53 53 GLU HA H 53 5.175 4.575 0.600 1
1 581 . 11 1 1 A 53 53 GLU C C 53 176.301 175.432 0.869 1
1 582 . 11 1 1 A 53 53 GLU CA C 53 55.500 56.260 -0.760 1
1 583 . 11 1 1 A 53 53 GLU CB C 53 30.537 30.022 0.515 1
1 585 . 11 1 1 A 53 53 GLU N N 53 122.819 125.242 -2.423 1
1 586 . 11 1 1 A 54 54 VAL H H 54 9.375 8.209 1.166 1
1 587 . 11 1 1 A 54 54 VAL HA H 54 4.739 4.688 0.051 1
1 595 . 11 1 1 A 54 54 VAL C C 54 175.017 175.148 -0.131 1
1 596 . 11 1 1 A 54 54 VAL CA C 54 59.647 60.726 -1.079 1
1 597 . 11 1 1 A 54 54 VAL CB C 54 36.171 35.544 0.627 1
1 600 . 11 1 1 A 54 54 VAL N N 54 125.177 126.711 -1.534 1
1 601 . 11 1 1 A 55 55 LEU H H 55 8.744 8.499 0.245 1
1 602 . 11 1 1 A 55 55 LEU HA H 55 4.500 4.382 0.118 1
1 612 . 11 1 1 A 55 55 LEU C C 55 179.440 178.565 0.875 1
1 613 . 11 1 1 A 55 55 LEU CA C 55 55.495 54.864 0.631 1
1 614 . 11 1 1 A 55 55 LEU CB C 55 42.628 42.191 0.437 1
1 618 . 11 1 1 A 55 55 LEU N N 55 123.920 125.966 -2.046 1
1 619 . 11 1 1 A 56 56 LEU H H 56 8.324 8.447 -0.123 1
1 620 . 11 1 1 A 56 56 LEU HA H 56 3.855 3.995 -0.140 1
1 630 . 11 1 1 A 56 56 LEU C C 56 178.810 178.840 -0.030 1
1 631 . 11 1 1 A 56 56 LEU CA C 56 57.883 57.648 0.235 1
1 632 . 11 1 1 A 56 56 LEU CB C 56 41.330 41.425 -0.095 1
1 636 . 11 1 1 A 56 56 LEU N N 56 123.383 123.455 -0.072 1
1 637 . 11 1 1 A 57 57 SER H H 57 7.886 8.242 -0.356 1
1 638 . 11 1 1 A 57 57 SER HA H 57 4.364 4.417 -0.053 1
1 641 . 11 1 1 A 57 57 SER C C 57 174.944 175.151 -0.207 1
1 642 . 11 1 1 A 57 57 SER CA C 57 59.859 60.759 -0.900 1
1 643 . 11 1 1 A 57 57 SER CB C 57 62.509 63.265 -0.756 1
1 644 . 11 1 1 A 57 57 SER N N 57 109.927 115.120 -5.193 1
1 645 . 11 1 1 A 58 58 ASN H H 58 8.085 7.875 0.210 1
1 646 . 11 1 1 A 58 58 ASN HA H 58 5.275 5.079 0.196 1
1 651 . 11 1 1 A 58 58 ASN C C 58 172.402 173.949 -1.547 1
1 652 . 11 1 1 A 58 58 ASN CA C 58 52.535 53.210 -0.675 1
1 653 . 11 1 1 A 58 58 ASN CB C 58 39.585 39.210 0.375 1
1 654 . 11 1 1 A 58 58 ASN N N 58 120.812 116.541 4.271 1
1 656 . 11 1 1 A 59 59 ILE H H 59 7.291 7.249 0.042 1
1 657 . 11 1 1 A 59 59 ILE HA H 59 5.125 5.183 -0.058 1
1 667 . 11 1 1 A 59 59 ILE C C 59 174.980 174.898 0.082 1
1 668 . 11 1 1 A 59 59 ILE CA C 59 60.659 59.779 0.880 1
1 669 . 11 1 1 A 59 59 ILE CB C 59 39.996 40.471 -0.475 1
1 673 . 11 1 1 A 59 59 ILE N N 59 115.444 121.648 -6.204 1
1 674 . 11 1 1 A 60 60 LYS H H 60 9.366 8.914 0.452 1
1 675 . 11 1 1 A 60 60 LYS HA H 60 5.300 4.872 0.428 1
1 684 . 11 1 1 A 60 60 LYS C C 60 173.381 174.320 -0.939 1
1 685 . 11 1 1 A 60 60 LYS CA C 60 52.977 52.758 0.219 1
1 686 . 11 1 1 A 60 60 LYS CB C 60 34.814 34.608 0.206 1
1 690 . 11 1 1 A 60 60 LYS N N 60 122.819 125.816 -2.997 1
1 691 . 11 1 1 A 61 61 PRO HA H 61 5.027 5.008 0.019 1
1 698 . 11 1 1 A 61 61 PRO C C 61 176.256 177.028 -0.772 1
1 699 . 11 1 1 A 61 61 PRO CA C 61 62.754 62.869 -0.115 1
1 700 . 11 1 1 A 61 61 PRO CB C 61 32.594 31.769 0.825 1
1 703 . 11 1 1 A 62 62 VAL H H 62 8.525 8.383 0.142 1
1 704 . 11 1 1 A 62 62 VAL HA H 62 3.969 3.957 0.012 1
1 712 . 11 1 1 A 62 62 VAL C C 62 176.192 176.334 -0.142 1
1 713 . 11 1 1 A 62 62 VAL CA C 62 62.895 62.849 0.046 1
1 714 . 11 1 1 A 62 62 VAL CB C 62 32.059 32.075 -0.016 1
1 717 . 11 1 1 A 62 62 VAL N N 62 117.807 123.659 -5.852 1
1 718 . 11 1 1 A 63 63 GLN H H 63 7.815 8.335 -0.520 1
1 719 . 11 1 1 A 63 63 GLN HA H 63 4.415 4.272 0.143 1
1 726 . 11 1 1 A 63 63 GLN C C 63 175.716 175.270 0.446 1
1 727 . 11 1 1 A 63 63 GLN CA C 63 55.535 56.779 -1.244 1
1 728 . 11 1 1 A 63 63 GLN CB C 63 29.468 29.655 -0.187 1
1 730 . 11 1 1 A 63 63 GLN N N 63 122.188 125.404 -3.216 1
1 732 . 11 1 1 A 64 64 THR H H 64 8.185 8.432 -0.247 1
1 733 . 11 1 1 A 64 64 THR HA H 64 4.154 4.994 -0.840 1
1 738 . 11 1 1 A 64 64 THR C C 64 174.616 174.299 0.317 1
1 739 . 11 1 1 A 64 64 THR CA C 64 62.277 60.853 1.424 1
1 740 . 11 1 1 A 64 64 THR CB C 64 69.565 69.885 -0.320 1
1 742 . 11 1 1 A 64 64 THR N N 64 116.169 112.769 3.400 1
1 743 . 11 1 1 A 65 65 GLU H H 65 8.460 8.848 -0.388 1
1 744 . 11 1 1 A 65 65 GLU HA H 65 4.174 4.849 -0.675 1
1 749 . 11 1 1 A 65 65 GLU C C 65 176.216 176.831 -0.615 1
1 750 . 11 1 1 A 65 65 GLU CA C 65 56.647 55.684 0.963 1
1 751 . 11 1 1 A 65 65 GLU CB C 65 30.044 30.394 -0.350 1
1 753 . 11 1 1 A 65 65 GLU N N 65 123.014 126.922 -3.908 1
1 754 . 11 1 1 A 66 66 ALA H H 66 8.245 8.326 -0.081 1
1 755 . 11 1 1 A 66 66 ALA HA H 66 4.205 4.580 -0.375 1
1 759 . 11 1 1 A 66 66 ALA C C 66 177.258 176.895 0.363 1
1 760 . 11 1 1 A 66 66 ALA CA C 66 52.730 51.641 1.089 1
1 761 . 11 1 1 A 66 66 ALA CB C 66 19.064 18.445 0.619 1
1 762 . 11 1 1 A 66 66 ALA N N 66 124.251 123.336 0.915 1
1 763 . 11 1 1 A 67 67 TRP H H 67 7.875 7.880 -0.005 1
1 764 . 11 1 1 A 67 67 TRP HA H 67 4.609 4.685 -0.076 1
1 772 . 11 1 1 A 67 67 TRP C C 67 175.889 176.064 -0.175 1
1 773 . 11 1 1 A 67 67 TRP CA C 67 57.106 57.670 -0.564 1
1 774 . 11 1 1 A 67 67 TRP CB C 67 29.427 30.066 -0.639 1
1 779 . 11 1 1 A 67 67 TRP N N 67 119.568 120.703 -1.135 1
1 781 . 11 1 1 A 68 68 VAL H H 68 7.815 8.549 -0.734 1
1 782 . 11 1 1 A 68 68 VAL HA H 68 3.917 4.527 -0.610 1
1 790 . 11 1 1 A 68 68 VAL C C 68 175.368 174.855 0.513 1
1 791 . 11 1 1 A 68 68 VAL CA C 68 62.189 61.392 0.797 1
1 792 . 11 1 1 A 68 68 VAL CB C 68 32.981 32.295 0.686 1
1 795 . 11 1 1 A 68 68 VAL N N 68 122.485 120.377 2.108 1
1 796 . 11 1 1 A 69 69 ARG H H 69 8.084 8.365 -0.281 1
1 797 . 11 1 1 A 69 69 ARG HA H 69 4.107 5.020 -0.913 1
1 804 . 11 1 1 A 69 69 ARG C C 69 175.465 174.522 0.943 1
1 805 . 11 1 1 A 69 69 ARG CA C 69 55.841 54.118 1.723 1
1 806 . 11 1 1 A 69 69 ARG CB C 69 30.949 33.687 -2.738 1
1 809 . 11 1 1 A 69 69 ARG N N 69 124.540 121.914 2.626 1
1 810 . 11 1 1 A 70 70 ASP H H 70 8.365 8.690 -0.325 1
1 811 . 11 1 1 A 70 70 ASP HA H 70 4.780 5.164 -0.384 1
1 814 . 11 1 1 A 70 70 ASP C C 70 175.319 176.130 -0.811 1
1 815 . 11 1 1 A 70 70 ASP CA C 70 51.882 50.583 1.299 1
1 816 . 11 1 1 A 70 70 ASP CB C 70 41.312 42.797 -1.485 1
1 817 . 11 1 1 A 70 70 ASP N N 70 123.498 121.175 2.323 1
1 818 . 11 1 1 A 71 71 PRO HA H 71 4.355 4.476 -0.121 1
1 825 . 11 1 1 A 71 71 PRO C C 71 177.091 177.184 -0.093 1
1 826 . 11 1 1 A 71 71 PRO CA C 71 63.777 64.436 -0.659 1
1 827 . 11 1 1 A 71 71 PRO CB C 71 32.118 31.813 0.305 1
1 830 . 11 1 1 A 72 72 ASN H H 72 8.521 8.051 0.470 1
1 831 . 11 1 1 A 72 72 ASN HA H 72 4.764 4.557 0.207 1
1 836 . 11 1 1 A 72 72 ASN C C 72 175.312 174.465 0.847 1
1 837 . 11 1 1 A 72 72 ASN CA C 72 53.471 53.652 -0.181 1
1 838 . 11 1 1 A 72 72 ASN CB C 72 38.869 38.398 0.471 1
1 839 . 11 1 1 A 72 72 ASN N N 72 117.256 116.957 0.299 1
1 841 . 11 1 1 A 73 73 SER H H 73 7.937 8.675 -0.738 1
1 842 . 11 1 1 A 73 73 SER HA H 73 4.429 4.989 -0.560 1
1 845 . 11 1 1 A 73 73 SER C C 73 174.532 173.951 0.581 1
1 846 . 11 1 1 A 73 73 SER CA C 73 58.642 57.523 1.119 1
1 847 . 11 1 1 A 73 73 SER CB C 73 64.137 66.497 -2.360 1
1 848 . 11 1 1 A 73 73 SER N N 73 115.503 120.437 -4.934 1
1 849 . 11 1 1 A 74 74 GLY H H 74 8.206 8.532 -0.326 1
1 850 . 11 1 1 A 74 74 GLY HA2 H 74 4.071 4.029 0.042 1
1 851 . 11 1 1 A 74 74 GLY HA3 H 74 4.123 4.030 0.093 1
1 852 . 11 1 1 A 74 74 GLY C C 74 171.781 174.002 -2.221 1
1 853 . 11 1 1 A 74 74 GLY CA C 74 44.682 46.150 -1.468 1
1 854 . 11 1 1 A 74 74 GLY N N 74 110.659 113.783 -3.124 1
1 855 . 11 1 1 A 75 75 PRO HA H 75 4.446 4.602 -0.156 1
1 862 . 11 1 1 A 75 75 PRO C C 75 177.407 176.725 0.682 1
1 863 . 11 1 1 A 75 75 PRO CA C 75 63.212 62.704 0.508 1
1 864 . 11 1 1 A 75 75 PRO CB C 75 32.182 31.636 0.546 1
1 867 . 11 1 1 A 76 76 SER H H 76 8.504 8.399 0.105 1
1 868 . 11 1 1 A 76 76 SER HA H 76 4.489 4.762 -0.273 1
1 871 . 11 1 1 A 76 76 SER C C 76 174.677 174.788 -0.111 1
1 872 . 11 1 1 A 76 76 SER CA C 76 58.359 56.808 1.551 1
1 873 . 11 1 1 A 76 76 SER CB C 76 64.013 65.598 -1.585 1
1 874 . 11 1 1 A 76 76 SER N N 76 116.388 115.632 0.756 1
1 875 . 11 1 1 A 77 77 SER H H 77 8.312 8.847 -0.535 1
1 876 . 11 1 1 A 77 77 SER C C 77 173.914 176.631 -2.717 1
1 877 . 11 1 1 A 77 77 SER CA C 77 58.342 61.612 -3.270 1
1 878 . 11 1 1 A 77 77 SER CB C 77 64.013 63.840 0.173 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.892 3.965 -0.073 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.892 3.970 -0.078 1
1 3 . 12 1 1 A 7 7 GLY C C 7 173.405 173.843 -0.438 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.070 46.024 -0.954 1
1 5 . 12 1 1 A 8 8 LYS H H 8 7.913 7.721 0.192 1
1 6 . 12 1 1 A 8 8 LYS HA H 8 4.031 4.138 -0.107 1
1 15 . 12 1 1 A 8 8 LYS C C 8 175.501 175.070 0.431 1
1 16 . 12 1 1 A 8 8 LYS CA C 8 55.765 56.520 -0.755 1
1 17 . 12 1 1 A 8 8 LYS CB C 8 33.046 32.845 0.201 1
1 21 . 12 1 1 A 8 8 LYS N N 8 121.849 121.778 0.071 1
1 22 . 12 1 1 A 9 9 VAL H H 9 8.175 8.479 -0.304 1
1 23 . 12 1 1 A 9 9 VAL HA H 9 4.082 4.874 -0.792 1
1 31 . 12 1 1 A 9 9 VAL C C 9 175.680 173.759 1.921 1
1 32 . 12 1 1 A 9 9 VAL CA C 9 61.571 59.529 2.042 1
1 33 . 12 1 1 A 9 9 VAL CB C 9 32.224 35.104 -2.880 1
1 36 . 12 1 1 A 9 9 VAL N N 9 125.536 125.248 0.288 1
1 37 . 12 1 1 A 10 10 TRP H H 10 8.125 8.917 -0.792 1
1 38 . 12 1 1 A 10 10 TRP HA H 10 4.667 5.187 -0.520 1
1 47 . 12 1 1 A 10 10 TRP C C 10 174.859 176.025 -1.166 1
1 48 . 12 1 1 A 10 10 TRP CA C 10 57.088 57.036 0.052 1
1 49 . 12 1 1 A 10 10 TRP CB C 10 31.730 31.809 -0.079 1
1 55 . 12 1 1 A 10 10 TRP N N 10 127.817 127.890 -0.073 1
1 57 . 12 1 1 A 11 11 LYS H H 11 9.090 9.260 -0.170 1
1 58 . 12 1 1 A 11 11 LYS HA H 11 4.856 4.968 -0.112 1
1 67 . 12 1 1 A 11 11 LYS C C 11 172.968 173.477 -0.509 1
1 68 . 12 1 1 A 11 11 LYS CA C 11 53.330 54.231 -0.901 1
1 69 . 12 1 1 A 11 11 LYS CB C 11 33.827 35.834 -2.007 1
1 73 . 12 1 1 A 11 11 LYS N N 11 120.688 118.589 2.099 1
1 74 . 12 1 1 A 12 12 PRO HA H 12 3.894 4.347 -0.453 1
1 81 . 12 1 1 A 12 12 PRO C C 12 177.287 177.549 -0.262 1
1 82 . 12 1 1 A 12 12 PRO CA C 12 63.812 63.703 0.109 1
1 83 . 12 1 1 A 12 12 PRO CB C 12 31.278 31.221 0.057 1
1 86 . 12 1 1 A 13 13 GLY H H 13 9.494 8.447 1.047 1
1 87 . 12 1 1 A 13 13 GLY HA2 H 13 4.431 4.067 0.364 1
1 88 . 12 1 1 A 13 13 GLY HA3 H 13 3.746 4.071 -0.325 1
1 89 . 12 1 1 A 13 13 GLY C C 13 174.798 173.564 1.234 1
1 90 . 12 1 1 A 13 13 GLY CA C 13 44.559 45.246 -0.687 1
1 91 . 12 1 1 A 13 13 GLY N N 13 114.764 112.731 2.033 1
1 92 . 12 1 1 A 14 14 ASP H H 14 8.005 7.949 0.056 1
1 93 . 12 1 1 A 14 14 ASP HA H 14 4.665 5.064 -0.399 1
1 96 . 12 1 1 A 14 14 ASP C C 14 176.143 175.557 0.586 1
1 97 . 12 1 1 A 14 14 ASP CA C 14 55.553 53.161 2.392 1
1 98 . 12 1 1 A 14 14 ASP CB C 14 41.600 44.540 -2.940 1
1 99 . 12 1 1 A 14 14 ASP N N 14 121.257 119.912 1.345 1
1 100 . 12 1 1 A 15 15 GLU H H 15 8.645 8.769 -0.124 1
1 101 . 12 1 1 A 15 15 GLU HA H 15 4.852 4.327 0.525 1
1 106 . 12 1 1 A 15 15 GLU C C 15 175.679 176.213 -0.534 1
1 107 . 12 1 1 A 15 15 GLU CA C 15 55.783 56.654 -0.871 1
1 108 . 12 1 1 A 15 15 GLU CB C 15 31.295 29.938 1.357 1
1 110 . 12 1 1 A 15 15 GLU N N 15 121.409 124.790 -3.381 1
1 111 . 12 1 1 A 16 16 CYS H H 16 8.735 9.009 -0.274 1
1 112 . 12 1 1 A 16 16 CYS HA H 16 5.086 4.995 0.091 1
1 115 . 12 1 1 A 16 16 CYS C C 16 172.636 172.646 -0.010 1
1 116 . 12 1 1 A 16 16 CYS CA C 16 56.418 56.306 0.112 1
1 117 . 12 1 1 A 16 16 CYS CB C 16 32.553 31.601 0.952 1
1 118 . 12 1 1 A 16 16 CYS N N 16 116.207 119.558 -3.351 1
1 119 . 12 1 1 A 17 17 PHE H H 17 9.125 8.598 0.527 1
1 120 . 12 1 1 A 17 17 PHE HA H 17 5.235 5.540 -0.305 1
1 128 . 12 1 1 A 17 17 PHE C C 17 174.823 175.132 -0.309 1
1 129 . 12 1 1 A 17 17 PHE CA C 17 57.547 56.927 0.620 1
1 130 . 12 1 1 A 17 17 PHE CB C 17 42.053 40.881 1.172 1
1 136 . 12 1 1 A 17 17 PHE N N 17 116.836 119.139 -2.303 1
1 137 . 12 1 1 A 18 18 ALA H H 18 9.373 9.005 0.368 1
1 138 . 12 1 1 A 18 18 ALA HA H 18 5.552 5.422 0.130 1
1 142 . 12 1 1 A 18 18 ALA C C 18 175.841 175.841 0.000 1
1 143 . 12 1 1 A 18 18 ALA CA C 18 50.147 49.937 0.210 1
1 144 . 12 1 1 A 18 18 ALA CB C 18 23.798 22.023 1.775 1
1 145 . 12 1 1 A 18 18 ALA N N 18 122.751 126.723 -3.972 1
1 146 . 12 1 1 A 19 19 LEU H H 19 7.487 8.678 -1.191 1
1 147 . 12 1 1 A 19 19 LEU HA H 19 3.514 4.835 -1.321 1
1 157 . 12 1 1 A 19 19 LEU C C 19 175.598 176.477 -0.879 1
1 158 . 12 1 1 A 19 19 LEU CA C 19 55.165 54.096 1.069 1
1 159 . 12 1 1 A 19 19 LEU CB C 19 43.656 42.653 1.003 1
1 163 . 12 1 1 A 19 19 LEU N N 19 123.529 124.879 -1.350 1
1 164 . 12 1 1 A 20 20 TYR H H 20 9.405 8.630 0.775 1
1 165 . 12 1 1 A 20 20 TYR HA H 20 4.939 4.683 0.256 1
1 172 . 12 1 1 A 20 20 TYR C C 20 176.593 176.965 -0.372 1
1 173 . 12 1 1 A 20 20 TYR CA C 20 55.201 59.140 -3.939 1
1 174 . 12 1 1 A 20 20 TYR CB C 20 37.899 38.937 -1.038 1
1 179 . 12 1 1 A 20 20 TYR N N 20 132.207 127.017 5.190 1
1 180 . 12 1 1 A 21 21 TRP H H 21 8.475 7.920 0.555 1
1 181 . 12 1 1 A 21 21 TRP HA H 21 4.087 4.583 -0.496 1
1 190 . 12 1 1 A 21 21 TRP C C 21 177.283 176.778 0.505 1
1 191 . 12 1 1 A 21 21 TRP CA C 21 58.695 57.553 1.142 1
1 192 . 12 1 1 A 21 21 TRP CB C 21 28.111 29.826 -1.715 1
1 198 . 12 1 1 A 21 21 TRP N N 21 128.228 126.457 1.771 1
1 200 . 12 1 1 A 22 22 GLU H H 22 4.195 6.972 -2.777 1
1 201 . 12 1 1 A 22 22 GLU HA H 22 2.895 4.177 -1.282 1
1 206 . 12 1 1 A 22 22 GLU C C 22 176.342 176.756 -0.414 1
1 207 . 12 1 1 A 22 22 GLU CA C 22 59.753 55.862 3.891 1
1 208 . 12 1 1 A 22 22 GLU CB C 22 29.468 30.277 -0.809 1
1 210 . 12 1 1 A 22 22 GLU N N 22 117.591 118.859 -1.268 1
1 211 . 12 1 1 A 23 23 ASP H H 23 6.695 7.766 -1.071 1
1 212 . 12 1 1 A 23 23 ASP HA H 23 4.554 4.777 -0.223 1
1 215 . 12 1 1 A 23 23 ASP C C 23 176.047 176.262 -0.215 1
1 216 . 12 1 1 A 23 23 ASP CA C 23 51.970 53.838 -1.868 1
1 217 . 12 1 1 A 23 23 ASP CB C 23 41.353 43.032 -1.679 1
1 218 . 12 1 1 A 23 23 ASP N N 23 112.180 116.586 -4.406 1
1 219 . 12 1 1 A 24 24 ASN H H 24 8.248 7.963 0.285 1
1 220 . 12 1 1 A 24 24 ASN HA H 24 4.055 4.512 -0.457 1
1 225 . 12 1 1 A 24 24 ASN C C 24 173.702 173.948 -0.246 1
1 226 . 12 1 1 A 24 24 ASN CA C 24 54.794 54.024 0.770 1
1 227 . 12 1 1 A 24 24 ASN CB C 24 37.940 36.144 1.796 1
1 228 . 12 1 1 A 24 24 ASN N N 24 116.693 117.180 -0.487 1
1 230 . 12 1 1 A 25 25 LYS H H 25 7.604 7.516 0.088 1
1 231 . 12 1 1 A 25 25 LYS HA H 25 4.502 4.519 -0.017 1
1 240 . 12 1 1 A 25 25 LYS C C 25 174.726 175.352 -0.626 1
1 241 . 12 1 1 A 25 25 LYS CA C 25 54.565 54.249 0.316 1
1 242 . 12 1 1 A 25 25 LYS CB C 25 35.143 34.129 1.014 1
1 246 . 12 1 1 A 25 25 LYS N N 25 116.646 119.041 -2.395 1
1 247 . 12 1 1 A 26 26 PHE H H 26 8.361 8.338 0.023 1
1 248 . 12 1 1 A 26 26 PHE HA H 26 5.005 4.603 0.402 1
1 256 . 12 1 1 A 26 26 PHE C C 26 176.228 175.784 0.444 1
1 257 . 12 1 1 A 26 26 PHE CA C 26 58.236 58.688 -0.452 1
1 258 . 12 1 1 A 26 26 PHE CB C 26 41.148 39.190 1.958 1
1 264 . 12 1 1 A 26 26 PHE N N 26 118.446 120.677 -2.231 1
1 265 . 12 1 1 A 27 27 TYR H H 27 8.851 8.968 -0.117 1
1 266 . 12 1 1 A 27 27 TYR HA H 27 5.045 5.289 -0.244 1
1 273 . 12 1 1 A 27 27 TYR C C 27 175.380 175.379 0.001 1
1 274 . 12 1 1 A 27 27 TYR CA C 27 56.594 56.631 -0.037 1
1 275 . 12 1 1 A 27 27 TYR CB C 27 43.856 42.672 1.184 1
1 280 . 12 1 1 A 27 27 TYR N N 27 118.823 122.457 -3.634 1
1 281 . 12 1 1 A 28 28 ARG H H 28 9.026 8.915 0.111 1
1 282 . 12 1 1 A 28 28 ARG HA H 28 4.202 3.771 0.431 1
1 290 . 12 1 1 A 28 28 ARG C C 28 175.789 175.549 0.240 1
1 291 . 12 1 1 A 28 28 ARG CA C 28 57.142 57.084 0.058 1
1 292 . 12 1 1 A 28 28 ARG CB C 28 30.291 31.260 -0.969 1
1 295 . 12 1 1 A 28 28 ARG N N 28 122.262 124.116 -1.854 1
1 297 . 12 1 1 A 29 29 ALA H H 29 9.157 8.305 0.852 1
1 298 . 12 1 1 A 29 29 ALA HA H 29 5.098 4.912 0.186 1
1 302 . 12 1 1 A 29 29 ALA C C 29 175.247 174.947 0.300 1
1 303 . 12 1 1 A 29 29 ALA CA C 29 51.188 51.275 -0.087 1
1 304 . 12 1 1 A 29 29 ALA CB C 29 23.153 22.845 0.308 1
1 305 . 12 1 1 A 29 29 ALA N N 29 126.768 127.094 -0.326 1
1 306 . 12 1 1 A 30 30 GLU H H 30 8.167 8.905 -0.738 1
1 307 . 12 1 1 A 30 30 GLU HA H 30 5.085 4.636 0.449 1
1 312 . 12 1 1 A 30 30 GLU C C 30 176.265 175.070 1.195 1
1 313 . 12 1 1 A 30 30 GLU CA C 30 53.948 55.300 -1.352 1
1 314 . 12 1 1 A 30 30 GLU CB C 30 33.622 33.401 0.221 1
1 316 . 12 1 1 A 30 30 GLU N N 30 118.036 118.331 -0.295 1
1 317 . 12 1 1 A 31 31 VAL H H 31 8.961 8.707 0.254 1
1 318 . 12 1 1 A 31 31 VAL HA H 31 3.545 3.906 -0.361 1
1 326 . 12 1 1 A 31 31 VAL C C 31 175.369 175.743 -0.374 1
1 327 . 12 1 1 A 31 31 VAL CA C 31 64.571 63.748 0.823 1
1 328 . 12 1 1 A 31 31 VAL CB C 31 31.678 31.550 0.128 1
1 331 . 12 1 1 A 31 31 VAL N N 31 124.010 127.214 -3.204 1
1 332 . 12 1 1 A 32 32 GLU H H 32 9.483 9.349 0.134 1
1 333 . 12 1 1 A 32 32 GLU HA H 32 4.627 4.463 0.164 1
1 338 . 12 1 1 A 32 32 GLU C C 32 175.695 175.928 -0.233 1
1 339 . 12 1 1 A 32 32 GLU CA C 32 56.841 58.117 -1.276 1
1 340 . 12 1 1 A 32 32 GLU CB C 32 30.661 31.108 -0.447 1
1 342 . 12 1 1 A 32 32 GLU N N 32 130.912 129.388 1.524 1
1 343 . 12 1 1 A 33 33 ALA H H 33 7.838 7.612 0.226 1
1 344 . 12 1 1 A 33 33 ALA HA H 33 4.456 4.741 -0.285 1
1 348 . 12 1 1 A 33 33 ALA C C 33 174.956 176.062 -1.106 1
1 349 . 12 1 1 A 33 33 ALA CA C 33 51.777 51.680 0.097 1
1 350 . 12 1 1 A 33 33 ALA CB C 33 22.189 22.631 -0.442 1
1 351 . 12 1 1 A 33 33 ALA N N 33 117.714 119.535 -1.821 1
1 352 . 12 1 1 A 34 34 LEU H H 34 8.954 8.764 0.190 1
1 353 . 12 1 1 A 34 34 LEU HA H 34 4.702 4.655 0.047 1
1 363 . 12 1 1 A 34 34 LEU C C 34 176.325 176.607 -0.282 1
1 364 . 12 1 1 A 34 34 LEU CA C 34 53.559 54.308 -0.749 1
1 365 . 12 1 1 A 34 34 LEU CB C 34 42.381 42.805 -0.424 1
1 369 . 12 1 1 A 34 34 LEU N N 34 122.418 123.196 -0.778 1
1 370 . 12 1 1 A 35 35 HIS H H 35 8.022 8.411 -0.389 1
1 371 . 12 1 1 A 35 35 HIS HA H 35 4.544 4.906 -0.362 1
1 376 . 12 1 1 A 35 35 HIS C C 35 178.300 176.500 1.800 1
1 377 . 12 1 1 A 35 35 HIS CA C 35 57.706 55.006 2.700 1
1 378 . 12 1 1 A 35 35 HIS CB C 35 32.594 32.188 0.406 1
1 381 . 12 1 1 A 35 35 HIS N N 35 123.729 122.423 1.306 1
1 382 . 12 1 1 A 37 37 SER H H 37 10.111 7.491 2.620 1
1 383 . 12 1 1 A 37 37 SER HA H 37 4.339 4.276 0.063 1
1 386 . 12 1 1 A 37 37 SER C C 37 176.434 175.495 0.939 1
1 387 . 12 1 1 A 37 37 SER CA C 37 59.895 59.757 0.138 1
1 388 . 12 1 1 A 37 37 SER CB C 37 63.665 64.235 -0.570 1
1 389 . 12 1 1 A 37 37 SER N N 37 119.788 114.478 5.310 1
1 390 . 12 1 1 A 38 38 GLY H H 38 8.136 8.042 0.094 1
1 391 . 12 1 1 A 38 38 GLY HA2 H 38 4.257 4.001 0.256 1
1 392 . 12 1 1 A 38 38 GLY HA3 H 38 3.981 4.022 -0.041 1
1 393 . 12 1 1 A 38 38 GLY C C 38 174.441 174.302 0.139 1
1 394 . 12 1 1 A 38 38 GLY CA C 38 46.006 46.706 -0.700 1
1 395 . 12 1 1 A 38 38 GLY N N 38 108.557 109.955 -1.398 1
1 396 . 12 1 1 A 39 39 MET H H 39 8.180 8.254 -0.074 1
1 397 . 12 1 1 A 39 39 MET HA H 39 4.789 4.684 0.105 1
1 405 . 12 1 1 A 39 39 MET C C 39 177.404 176.041 1.363 1
1 406 . 12 1 1 A 39 39 MET CA C 39 55.889 56.413 -0.524 1
1 407 . 12 1 1 A 39 39 MET CB C 39 34.033 35.675 -1.642 1
1 410 . 12 1 1 A 39 39 MET N N 39 113.829 116.271 -2.442 1
1 411 . 12 1 1 A 40 40 THR H H 40 7.174 8.199 -1.025 1
1 412 . 12 1 1 A 40 40 THR HA H 40 5.182 5.039 0.143 1
1 417 . 12 1 1 A 40 40 THR C C 40 172.981 173.681 -0.700 1
1 418 . 12 1 1 A 40 40 THR CA C 40 59.559 59.975 -0.416 1
1 419 . 12 1 1 A 40 40 THR CB C 40 73.120 71.439 1.681 1
1 421 . 12 1 1 A 40 40 THR N N 40 108.160 109.570 -1.410 1
1 422 . 12 1 1 A 41 41 ALA H H 41 9.245 8.352 0.893 1
1 423 . 12 1 1 A 41 41 ALA HA H 41 4.932 4.853 0.079 1
1 427 . 12 1 1 A 41 41 ALA C C 41 175.635 176.074 -0.439 1
1 428 . 12 1 1 A 41 41 ALA CA C 41 50.417 51.793 -1.376 1
1 429 . 12 1 1 A 41 41 ALA CB C 41 22.600 22.728 -0.128 1
1 430 . 12 1 1 A 41 41 ALA N N 41 122.138 121.661 0.477 1
1 431 . 12 1 1 A 42 42 VAL H H 42 8.773 9.040 -0.267 1
1 432 . 12 1 1 A 42 42 VAL HA H 42 4.789 4.205 0.584 1
1 440 . 12 1 1 A 42 42 VAL C C 42 176.410 175.609 0.801 1
1 441 . 12 1 1 A 42 42 VAL CA C 42 62.083 63.154 -1.071 1
1 442 . 12 1 1 A 42 42 VAL CB C 42 32.776 31.234 1.542 1
1 445 . 12 1 1 A 42 42 VAL N N 42 120.320 122.308 -1.988 1
1 446 . 12 1 1 A 43 43 VAL H H 43 9.224 8.816 0.408 1
1 447 . 12 1 1 A 43 43 VAL HA H 43 5.013 4.905 0.108 1
1 455 . 12 1 1 A 43 43 VAL C C 43 172.532 173.986 -1.454 1
1 456 . 12 1 1 A 43 43 VAL CA C 43 57.812 59.432 -1.620 1
1 457 . 12 1 1 A 43 43 VAL CB C 43 34.280 34.273 0.007 1
1 460 . 12 1 1 A 43 43 VAL N N 43 121.151 122.367 -1.216 1
1 461 . 12 1 1 A 44 44 LYS H H 44 8.645 8.744 -0.099 1
1 462 . 12 1 1 A 44 44 LYS HA H 44 4.627 4.851 -0.224 1
1 471 . 12 1 1 A 44 44 LYS C C 44 177.419 176.210 1.209 1
1 472 . 12 1 1 A 44 44 LYS CA C 44 53.612 54.741 -1.129 1
1 473 . 12 1 1 A 44 44 LYS CB C 44 35.143 34.730 0.413 1
1 477 . 12 1 1 A 44 44 LYS N N 44 121.425 124.715 -3.290 1
1 478 . 12 1 1 A 45 45 PHE H H 45 8.823 8.862 -0.039 1
1 479 . 12 1 1 A 45 45 PHE HA H 45 4.505 4.815 -0.310 1
1 487 . 12 1 1 A 45 45 PHE C C 45 177.585 175.581 2.004 1
1 488 . 12 1 1 A 45 45 PHE CA C 45 59.841 58.116 1.725 1
1 489 . 12 1 1 A 45 45 PHE CB C 45 38.598 40.074 -1.476 1
1 495 . 12 1 1 A 45 45 PHE N N 45 128.232 125.393 2.839 1
1 496 . 12 1 1 A 46 46 THR H H 46 8.281 8.388 -0.107 1
1 497 . 12 1 1 A 46 46 THR HA H 46 3.738 4.386 -0.648 1
1 502 . 12 1 1 A 46 46 THR C C 46 176.410 175.868 0.542 1
1 503 . 12 1 1 A 46 46 THR CA C 46 65.930 64.009 1.921 1
1 504 . 12 1 1 A 46 46 THR CB C 46 68.743 69.568 -0.825 1
1 506 . 12 1 1 A 46 46 THR N N 46 120.729 116.893 3.836 1
1 507 . 12 1 1 A 47 47 ASP H H 47 9.166 8.462 0.704 1
1 508 . 12 1 1 A 47 47 ASP HA H 47 4.300 4.019 0.281 1
1 511 . 12 1 1 A 47 47 ASP C C 47 176.844 177.019 -0.175 1
1 512 . 12 1 1 A 47 47 ASP CA C 47 57.283 57.388 -0.105 1
1 513 . 12 1 1 A 47 47 ASP CB C 47 40.037 40.161 -0.124 1
1 514 . 12 1 1 A 47 47 ASP N N 47 120.635 120.947 -0.312 1
1 515 . 12 1 1 A 48 48 TYR H H 48 7.676 7.617 0.059 1
1 516 . 12 1 1 A 48 48 TYR HA H 48 4.605 4.636 -0.031 1
1 523 . 12 1 1 A 48 48 TYR C C 48 177.343 176.282 1.061 1
1 524 . 12 1 1 A 48 48 TYR CA C 48 57.777 58.929 -1.152 1
1 525 . 12 1 1 A 48 48 TYR CB C 48 39.914 40.618 -0.704 1
1 530 . 12 1 1 A 48 48 TYR N N 48 114.763 114.208 0.555 1
1 531 . 12 1 1 A 49 49 GLY H H 49 8.065 8.341 -0.276 1
1 532 . 12 1 1 A 49 49 GLY HA2 H 49 4.023 4.038 -0.015 1
1 533 . 12 1 1 A 49 49 GLY HA3 H 49 3.571 4.049 -0.478 1
1 534 . 12 1 1 A 49 49 GLY C C 49 172.707 174.167 -1.460 1
1 535 . 12 1 1 A 49 49 GLY CA C 49 46.165 45.313 0.852 1
1 536 . 12 1 1 A 49 49 GLY N N 49 107.679 106.920 0.759 1
1 537 . 12 1 1 A 50 50 ASN H H 50 8.836 8.087 0.749 1
1 538 . 12 1 1 A 50 50 ASN HA H 50 4.777 5.186 -0.409 1
1 543 . 12 1 1 A 50 50 ASN C C 50 173.696 174.011 -0.315 1
1 544 . 12 1 1 A 50 50 ASN CA C 50 52.747 51.352 1.395 1
1 545 . 12 1 1 A 50 50 ASN CB C 50 37.710 41.176 -3.466 1
1 546 . 12 1 1 A 50 50 ASN N N 50 114.795 116.323 -1.528 1
1 548 . 12 1 1 A 51 51 TYR H H 51 8.726 8.603 0.123 1
1 549 . 12 1 1 A 51 51 TYR HA H 51 5.696 5.005 0.691 1
1 556 . 12 1 1 A 51 51 TYR C C 51 176.871 175.686 1.185 1
1 557 . 12 1 1 A 51 51 TYR CA C 51 56.789 57.976 -1.187 1
1 558 . 12 1 1 A 51 51 TYR CB C 51 40.037 40.225 -0.188 1
1 563 . 12 1 1 A 51 51 TYR N N 51 120.703 121.356 -0.653 1
1 564 . 12 1 1 A 52 52 GLU H H 52 8.995 8.925 0.070 1
1 565 . 12 1 1 A 52 52 GLU HA H 52 4.981 4.943 0.038 1
1 570 . 12 1 1 A 52 52 GLU C C 52 174.629 175.059 -0.430 1
1 571 . 12 1 1 A 52 52 GLU CA C 52 54.070 55.626 -1.556 1
1 572 . 12 1 1 A 52 52 GLU CB C 52 34.814 34.079 0.735 1
1 574 . 12 1 1 A 52 52 GLU N N 52 118.929 120.600 -1.671 1
1 575 . 12 1 1 A 53 53 GLU H H 53 8.995 8.562 0.433 1
1 576 . 12 1 1 A 53 53 GLU HA H 53 5.175 4.541 0.634 1
1 581 . 12 1 1 A 53 53 GLU C C 53 176.301 175.417 0.884 1
1 582 . 12 1 1 A 53 53 GLU CA C 53 55.500 55.978 -0.478 1
1 583 . 12 1 1 A 53 53 GLU CB C 53 30.537 30.320 0.217 1
1 585 . 12 1 1 A 53 53 GLU N N 53 122.819 123.984 -1.165 1
1 586 . 12 1 1 A 54 54 VAL H H 54 9.375 8.203 1.172 1
1 587 . 12 1 1 A 54 54 VAL HA H 54 4.739 4.697 0.042 1
1 595 . 12 1 1 A 54 54 VAL C C 54 175.017 174.948 0.069 1
1 596 . 12 1 1 A 54 54 VAL CA C 54 59.647 60.566 -0.919 1
1 597 . 12 1 1 A 54 54 VAL CB C 54 36.171 35.547 0.624 1
1 600 . 12 1 1 A 54 54 VAL N N 54 125.177 126.691 -1.514 1
1 601 . 12 1 1 A 55 55 LEU H H 55 8.744 8.586 0.158 1
1 602 . 12 1 1 A 55 55 LEU HA H 55 4.500 4.483 0.017 1
1 612 . 12 1 1 A 55 55 LEU C C 55 179.440 178.254 1.186 1
1 613 . 12 1 1 A 55 55 LEU CA C 55 55.495 54.800 0.695 1
1 614 . 12 1 1 A 55 55 LEU CB C 55 42.628 42.214 0.414 1
1 618 . 12 1 1 A 55 55 LEU N N 55 123.920 125.724 -1.804 1
1 619 . 12 1 1 A 56 56 LEU H H 56 8.324 8.663 -0.339 1
1 620 . 12 1 1 A 56 56 LEU HA H 56 3.855 4.066 -0.211 1
1 630 . 12 1 1 A 56 56 LEU C C 56 178.810 178.563 0.247 1
1 631 . 12 1 1 A 56 56 LEU CA C 56 57.883 57.415 0.468 1
1 632 . 12 1 1 A 56 56 LEU CB C 56 41.330 41.541 -0.211 1
1 636 . 12 1 1 A 56 56 LEU N N 56 123.383 122.968 0.415 1
1 637 . 12 1 1 A 57 57 SER H H 57 7.886 7.940 -0.054 1
1 638 . 12 1 1 A 57 57 SER HA H 57 4.364 4.456 -0.092 1
1 641 . 12 1 1 A 57 57 SER C C 57 174.944 175.322 -0.378 1
1 642 . 12 1 1 A 57 57 SER CA C 57 59.859 60.102 -0.243 1
1 643 . 12 1 1 A 57 57 SER CB C 57 62.509 62.919 -0.410 1
1 644 . 12 1 1 A 57 57 SER N N 57 109.927 114.071 -4.144 1
1 645 . 12 1 1 A 58 58 ASN H H 58 8.085 8.176 -0.091 1
1 646 . 12 1 1 A 58 58 ASN HA H 58 5.275 5.038 0.237 1
1 651 . 12 1 1 A 58 58 ASN C C 58 172.402 174.043 -1.641 1
1 652 . 12 1 1 A 58 58 ASN CA C 58 52.535 53.208 -0.673 1
1 653 . 12 1 1 A 58 58 ASN CB C 58 39.585 39.223 0.362 1
1 654 . 12 1 1 A 58 58 ASN N N 58 120.812 117.628 3.184 1
1 656 . 12 1 1 A 59 59 ILE H H 59 7.291 7.340 -0.049 1
1 657 . 12 1 1 A 59 59 ILE HA H 59 5.125 5.234 -0.109 1
1 667 . 12 1 1 A 59 59 ILE C C 59 174.980 175.231 -0.251 1
1 668 . 12 1 1 A 59 59 ILE CA C 59 60.659 59.556 1.103 1
1 669 . 12 1 1 A 59 59 ILE CB C 59 39.996 41.467 -1.471 1
1 673 . 12 1 1 A 59 59 ILE N N 59 115.444 121.323 -5.879 1
1 674 . 12 1 1 A 60 60 LYS H H 60 9.366 8.587 0.779 1
1 675 . 12 1 1 A 60 60 LYS HA H 60 5.300 5.080 0.220 1
1 684 . 12 1 1 A 60 60 LYS C C 60 173.381 174.257 -0.876 1
1 685 . 12 1 1 A 60 60 LYS CA C 60 52.977 53.022 -0.045 1
1 686 . 12 1 1 A 60 60 LYS CB C 60 34.814 34.798 0.016 1
1 690 . 12 1 1 A 60 60 LYS N N 60 122.819 124.373 -1.554 1
1 691 . 12 1 1 A 61 61 PRO HA H 61 5.027 5.092 -0.065 1
1 698 . 12 1 1 A 61 61 PRO C C 61 176.256 175.609 0.647 1
1 699 . 12 1 1 A 61 61 PRO CA C 61 62.754 62.790 -0.036 1
1 700 . 12 1 1 A 61 61 PRO CB C 61 32.594 32.231 0.363 1
1 703 . 12 1 1 A 62 62 VAL H H 62 8.525 8.609 -0.084 1
1 704 . 12 1 1 A 62 62 VAL HA H 62 3.969 4.791 -0.822 1
1 712 . 12 1 1 A 62 62 VAL C C 62 176.192 173.852 2.340 1
1 713 . 12 1 1 A 62 62 VAL CA C 62 62.895 59.901 2.994 1
1 714 . 12 1 1 A 62 62 VAL CB C 62 32.059 34.270 -2.211 1
1 717 . 12 1 1 A 62 62 VAL N N 62 117.807 122.776 -4.969 1
1 718 . 12 1 1 A 63 63 GLN H H 63 7.815 9.047 -1.232 1
1 719 . 12 1 1 A 63 63 GLN HA H 63 4.415 4.817 -0.402 1
1 726 . 12 1 1 A 63 63 GLN C C 63 175.716 174.720 0.996 1
1 727 . 12 1 1 A 63 63 GLN CA C 63 55.535 55.136 0.399 1
1 728 . 12 1 1 A 63 63 GLN CB C 63 29.468 30.115 -0.647 1
1 730 . 12 1 1 A 63 63 GLN N N 63 122.188 129.167 -6.979 1
1 732 . 12 1 1 A 64 64 THR H H 64 8.185 8.518 -0.333 1
1 733 . 12 1 1 A 64 64 THR HA H 64 4.154 4.732 -0.578 1
1 738 . 12 1 1 A 64 64 THR C C 64 174.616 173.378 1.238 1
1 739 . 12 1 1 A 64 64 THR CA C 64 62.277 61.735 0.542 1
1 740 . 12 1 1 A 64 64 THR CB C 64 69.565 69.055 0.510 1
1 742 . 12 1 1 A 64 64 THR N N 64 116.169 120.828 -4.659 1
1 743 . 12 1 1 A 65 65 GLU H H 65 8.460 9.053 -0.593 1
1 744 . 12 1 1 A 65 65 GLU HA H 65 4.174 4.434 -0.260 1
1 749 . 12 1 1 A 65 65 GLU C C 65 176.216 176.791 -0.575 1
1 750 . 12 1 1 A 65 65 GLU CA C 65 56.647 56.039 0.608 1
1 751 . 12 1 1 A 65 65 GLU CB C 65 30.044 28.819 1.225 1
1 753 . 12 1 1 A 65 65 GLU N N 65 123.014 127.561 -4.547 1
1 754 . 12 1 1 A 66 66 ALA H H 66 8.245 8.366 -0.121 1
1 755 . 12 1 1 A 66 66 ALA HA H 66 4.205 4.536 -0.331 1
1 759 . 12 1 1 A 66 66 ALA C C 66 177.258 176.775 0.483 1
1 760 . 12 1 1 A 66 66 ALA CA C 66 52.730 50.829 1.901 1
1 761 . 12 1 1 A 66 66 ALA CB C 66 19.064 19.511 -0.447 1
1 762 . 12 1 1 A 66 66 ALA N N 66 124.251 127.622 -3.371 1
1 763 . 12 1 1 A 67 67 TRP H H 67 7.875 7.709 0.166 1
1 764 . 12 1 1 A 67 67 TRP HA H 67 4.609 4.531 0.078 1
1 772 . 12 1 1 A 67 67 TRP C C 67 175.889 176.374 -0.485 1
1 773 . 12 1 1 A 67 67 TRP CA C 67 57.106 57.411 -0.305 1
1 774 . 12 1 1 A 67 67 TRP CB C 67 29.427 29.924 -0.497 1
1 779 . 12 1 1 A 67 67 TRP N N 67 119.568 118.547 1.021 1
1 781 . 12 1 1 A 68 68 VAL H H 68 7.815 8.853 -1.038 1
1 782 . 12 1 1 A 68 68 VAL HA H 68 3.917 4.731 -0.814 1
1 790 . 12 1 1 A 68 68 VAL C C 68 175.368 174.561 0.807 1
1 791 . 12 1 1 A 68 68 VAL CA C 68 62.189 59.761 2.428 1
1 792 . 12 1 1 A 68 68 VAL CB C 68 32.981 34.922 -1.941 1
1 795 . 12 1 1 A 68 68 VAL N N 68 122.485 119.145 3.340 1
1 796 . 12 1 1 A 69 69 ARG H H 69 8.084 8.995 -0.911 1
1 797 . 12 1 1 A 69 69 ARG HA H 69 4.107 5.199 -1.092 1
1 804 . 12 1 1 A 69 69 ARG C C 69 175.465 174.441 1.024 1
1 805 . 12 1 1 A 69 69 ARG CA C 69 55.841 53.511 2.330 1
1 806 . 12 1 1 A 69 69 ARG CB C 69 30.949 34.427 -3.478 1
1 809 . 12 1 1 A 69 69 ARG N N 69 124.540 124.488 0.052 1
1 810 . 12 1 1 A 70 70 ASP H H 70 8.365 8.726 -0.361 1
1 811 . 12 1 1 A 70 70 ASP HA H 70 4.780 5.160 -0.380 1
1 814 . 12 1 1 A 70 70 ASP C C 70 175.319 175.922 -0.603 1
1 815 . 12 1 1 A 70 70 ASP CA C 70 51.882 51.423 0.459 1
1 816 . 12 1 1 A 70 70 ASP CB C 70 41.312 43.736 -2.424 1
1 817 . 12 1 1 A 70 70 ASP N N 70 123.498 119.808 3.690 1
1 818 . 12 1 1 A 71 71 PRO HA H 71 4.355 4.586 -0.231 1
1 825 . 12 1 1 A 71 71 PRO C C 71 177.091 176.819 0.272 1
1 826 . 12 1 1 A 71 71 PRO CA C 71 63.777 63.596 0.181 1
1 827 . 12 1 1 A 71 71 PRO CB C 71 32.118 32.132 -0.014 1
1 830 . 12 1 1 A 72 72 ASN H H 72 8.521 7.791 0.730 1
1 831 . 12 1 1 A 72 72 ASN HA H 72 4.764 4.671 0.093 1
1 836 . 12 1 1 A 72 72 ASN C C 72 175.312 175.216 0.096 1
1 837 . 12 1 1 A 72 72 ASN CA C 72 53.471 53.772 -0.301 1
1 838 . 12 1 1 A 72 72 ASN CB C 72 38.869 38.873 -0.004 1
1 839 . 12 1 1 A 72 72 ASN N N 72 117.256 117.531 -0.275 1
1 841 . 12 1 1 A 73 73 SER H H 73 7.937 8.607 -0.670 1
1 842 . 12 1 1 A 73 73 SER HA H 73 4.429 4.534 -0.105 1
1 845 . 12 1 1 A 73 73 SER C C 73 174.532 175.546 -1.014 1
1 846 . 12 1 1 A 73 73 SER CA C 73 58.642 57.817 0.825 1
1 847 . 12 1 1 A 73 73 SER CB C 73 64.137 64.344 -0.207 1
1 848 . 12 1 1 A 73 73 SER N N 73 115.503 115.024 0.479 1
1 849 . 12 1 1 A 74 74 GLY H H 74 8.206 8.643 -0.437 1
1 850 . 12 1 1 A 74 74 GLY HA2 H 74 4.071 3.850 0.221 1
1 851 . 12 1 1 A 74 74 GLY HA3 H 74 4.123 3.851 0.272 1
1 852 . 12 1 1 A 74 74 GLY C C 74 171.781 174.854 -3.073 1
1 853 . 12 1 1 A 74 74 GLY CA C 74 44.682 47.647 -2.965 1
1 854 . 12 1 1 A 74 74 GLY N N 74 110.659 109.417 1.242 1
1 855 . 12 1 1 A 75 75 PRO HA H 75 4.446 4.576 -0.130 1
1 862 . 12 1 1 A 75 75 PRO C C 75 177.407 176.230 1.177 1
1 863 . 12 1 1 A 75 75 PRO CA C 75 63.212 62.929 0.283 1
1 864 . 12 1 1 A 75 75 PRO CB C 75 32.182 31.749 0.433 1
1 867 . 12 1 1 A 76 76 SER H H 76 8.504 8.405 0.099 1
1 868 . 12 1 1 A 76 76 SER HA H 76 4.489 4.944 -0.455 1
1 871 . 12 1 1 A 76 76 SER C C 76 174.677 173.891 0.786 1
1 872 . 12 1 1 A 76 76 SER CA C 76 58.359 56.500 1.859 1
1 873 . 12 1 1 A 76 76 SER CB C 76 64.013 65.611 -1.598 1
1 874 . 12 1 1 A 76 76 SER N N 76 116.388 115.444 0.944 1
1 875 . 12 1 1 A 77 77 SER H H 77 8.312 8.501 -0.189 1
1 876 . 12 1 1 A 77 77 SER C C 77 173.914 174.942 -1.028 1
1 877 . 12 1 1 A 77 77 SER CA C 77 58.342 58.954 -0.612 1
1 878 . 12 1 1 A 77 77 SER CB C 77 64.013 63.672 0.341 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.892 4.039 -0.147 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.892 4.040 -0.148 1
1 3 . 13 1 1 A 7 7 GLY C C 7 173.405 172.712 0.693 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.070 44.467 0.603 1
1 5 . 13 1 1 A 8 8 LYS H H 8 7.913 8.399 -0.486 1
1 6 . 13 1 1 A 8 8 LYS HA H 8 4.031 4.778 -0.747 1
1 15 . 13 1 1 A 8 8 LYS C C 8 175.501 174.379 1.122 1
1 16 . 13 1 1 A 8 8 LYS CA C 8 55.765 55.611 0.154 1
1 17 . 13 1 1 A 8 8 LYS CB C 8 33.046 35.385 -2.339 1
1 21 . 13 1 1 A 8 8 LYS N N 8 121.849 120.448 1.401 1
1 22 . 13 1 1 A 9 9 VAL H H 9 8.175 8.863 -0.688 1
1 23 . 13 1 1 A 9 9 VAL HA H 9 4.082 4.601 -0.519 1
1 31 . 13 1 1 A 9 9 VAL C C 9 175.680 175.092 0.588 1
1 32 . 13 1 1 A 9 9 VAL CA C 9 61.571 60.942 0.629 1
1 33 . 13 1 1 A 9 9 VAL CB C 9 32.224 35.404 -3.180 1
1 36 . 13 1 1 A 9 9 VAL N N 9 125.536 125.785 -0.249 1
1 37 . 13 1 1 A 10 10 TRP H H 10 8.125 8.578 -0.453 1
1 38 . 13 1 1 A 10 10 TRP HA H 10 4.667 4.929 -0.262 1
1 47 . 13 1 1 A 10 10 TRP C C 10 174.859 176.004 -1.145 1
1 48 . 13 1 1 A 10 10 TRP CA C 10 57.088 57.218 -0.130 1
1 49 . 13 1 1 A 10 10 TRP CB C 10 31.730 30.434 1.296 1
1 55 . 13 1 1 A 10 10 TRP N N 10 127.817 127.696 0.121 1
1 57 . 13 1 1 A 11 11 LYS H H 11 9.090 9.224 -0.134 1
1 58 . 13 1 1 A 11 11 LYS HA H 11 4.856 4.937 -0.081 1
1 67 . 13 1 1 A 11 11 LYS C C 11 172.968 173.447 -0.479 1
1 68 . 13 1 1 A 11 11 LYS CA C 11 53.330 54.431 -1.101 1
1 69 . 13 1 1 A 11 11 LYS CB C 11 33.827 35.690 -1.863 1
1 73 . 13 1 1 A 11 11 LYS N N 11 120.688 118.473 2.215 1
1 74 . 13 1 1 A 12 12 PRO HA H 12 3.894 4.570 -0.676 1
1 81 . 13 1 1 A 12 12 PRO C C 12 177.287 177.596 -0.309 1
1 82 . 13 1 1 A 12 12 PRO CA C 12 63.812 63.626 0.186 1
1 83 . 13 1 1 A 12 12 PRO CB C 12 31.278 31.039 0.239 1
1 86 . 13 1 1 A 13 13 GLY H H 13 9.494 8.498 0.996 1
1 87 . 13 1 1 A 13 13 GLY HA2 H 13 4.431 4.078 0.353 1
1 88 . 13 1 1 A 13 13 GLY HA3 H 13 3.746 4.080 -0.334 1
1 89 . 13 1 1 A 13 13 GLY C C 13 174.798 173.475 1.323 1
1 90 . 13 1 1 A 13 13 GLY CA C 13 44.559 45.111 -0.552 1
1 91 . 13 1 1 A 13 13 GLY N N 13 114.764 112.817 1.947 1
1 92 . 13 1 1 A 14 14 ASP H H 14 8.005 8.056 -0.051 1
1 93 . 13 1 1 A 14 14 ASP HA H 14 4.665 5.042 -0.377 1
1 96 . 13 1 1 A 14 14 ASP C C 14 176.143 175.795 0.348 1
1 97 . 13 1 1 A 14 14 ASP CA C 14 55.553 53.241 2.312 1
1 98 . 13 1 1 A 14 14 ASP CB C 14 41.600 43.900 -2.300 1
1 99 . 13 1 1 A 14 14 ASP N N 14 121.257 120.413 0.844 1
1 100 . 13 1 1 A 15 15 GLU H H 15 8.645 8.766 -0.121 1
1 101 . 13 1 1 A 15 15 GLU HA H 15 4.852 4.314 0.538 1
1 106 . 13 1 1 A 15 15 GLU C C 15 175.679 176.409 -0.730 1
1 107 . 13 1 1 A 15 15 GLU CA C 15 55.783 56.711 -0.928 1
1 108 . 13 1 1 A 15 15 GLU CB C 15 31.295 30.055 1.240 1
1 110 . 13 1 1 A 15 15 GLU N N 15 121.409 124.642 -3.233 1
1 111 . 13 1 1 A 16 16 CYS H H 16 8.735 9.166 -0.431 1
1 112 . 13 1 1 A 16 16 CYS HA H 16 5.086 5.254 -0.168 1
1 115 . 13 1 1 A 16 16 CYS C C 16 172.636 172.593 0.043 1
1 116 . 13 1 1 A 16 16 CYS CA C 16 56.418 56.711 -0.293 1
1 117 . 13 1 1 A 16 16 CYS CB C 16 32.553 31.774 0.779 1
1 118 . 13 1 1 A 16 16 CYS N N 16 116.207 119.370 -3.163 1
1 119 . 13 1 1 A 17 17 PHE H H 17 9.125 8.814 0.311 1
1 120 . 13 1 1 A 17 17 PHE HA H 17 5.235 5.674 -0.439 1
1 128 . 13 1 1 A 17 17 PHE C C 17 174.823 174.745 0.078 1
1 129 . 13 1 1 A 17 17 PHE CA C 17 57.547 56.619 0.928 1
1 130 . 13 1 1 A 17 17 PHE CB C 17 42.053 41.549 0.504 1
1 136 . 13 1 1 A 17 17 PHE N N 17 116.836 118.156 -1.320 1
1 137 . 13 1 1 A 18 18 ALA H H 18 9.373 8.990 0.383 1
1 138 . 13 1 1 A 18 18 ALA HA H 18 5.552 5.401 0.151 1
1 142 . 13 1 1 A 18 18 ALA C C 18 175.841 176.018 -0.177 1
1 143 . 13 1 1 A 18 18 ALA CA C 18 50.147 50.028 0.119 1
1 144 . 13 1 1 A 18 18 ALA CB C 18 23.798 21.706 2.092 1
1 145 . 13 1 1 A 18 18 ALA N N 18 122.751 126.645 -3.894 1
1 146 . 13 1 1 A 19 19 LEU H H 19 7.487 8.743 -1.256 1
1 147 . 13 1 1 A 19 19 LEU HA H 19 3.514 4.714 -1.200 1
1 157 . 13 1 1 A 19 19 LEU C C 19 175.598 176.518 -0.920 1
1 158 . 13 1 1 A 19 19 LEU CA C 19 55.165 54.372 0.793 1
1 159 . 13 1 1 A 19 19 LEU CB C 19 43.656 42.607 1.049 1
1 163 . 13 1 1 A 19 19 LEU N N 19 123.529 125.107 -1.578 1
1 164 . 13 1 1 A 20 20 TYR H H 20 9.405 8.384 1.021 1
1 165 . 13 1 1 A 20 20 TYR HA H 20 4.939 4.500 0.439 1
1 172 . 13 1 1 A 20 20 TYR C C 20 176.593 177.127 -0.534 1
1 173 . 13 1 1 A 20 20 TYR CA C 20 55.201 59.304 -4.103 1
1 174 . 13 1 1 A 20 20 TYR CB C 20 37.899 38.898 -0.999 1
1 179 . 13 1 1 A 20 20 TYR N N 20 132.207 126.964 5.243 1
1 180 . 13 1 1 A 21 21 TRP H H 21 8.475 8.108 0.367 1
1 181 . 13 1 1 A 21 21 TRP HA H 21 4.087 4.513 -0.426 1
1 190 . 13 1 1 A 21 21 TRP C C 21 177.283 176.408 0.875 1
1 191 . 13 1 1 A 21 21 TRP CA C 21 58.695 58.245 0.450 1
1 192 . 13 1 1 A 21 21 TRP CB C 21 28.111 29.410 -1.299 1
1 198 . 13 1 1 A 21 21 TRP N N 21 128.228 126.767 1.461 1
1 200 . 13 1 1 A 22 22 GLU H H 22 4.195 7.216 -3.021 1
1 201 . 13 1 1 A 22 22 GLU HA H 22 2.895 4.201 -1.306 1
1 206 . 13 1 1 A 22 22 GLU C C 22 176.342 177.192 -0.850 1
1 207 . 13 1 1 A 22 22 GLU CA C 22 59.753 56.859 2.894 1
1 208 . 13 1 1 A 22 22 GLU CB C 22 29.468 30.716 -1.248 1
1 210 . 13 1 1 A 22 22 GLU N N 22 117.591 119.101 -1.510 1
1 211 . 13 1 1 A 23 23 ASP H H 23 6.695 8.011 -1.316 1
1 212 . 13 1 1 A 23 23 ASP HA H 23 4.554 4.706 -0.152 1
1 215 . 13 1 1 A 23 23 ASP C C 23 176.047 175.873 0.174 1
1 216 . 13 1 1 A 23 23 ASP CA C 23 51.970 53.903 -1.933 1
1 217 . 13 1 1 A 23 23 ASP CB C 23 41.353 42.133 -0.780 1
1 218 . 13 1 1 A 23 23 ASP N N 23 112.180 116.573 -4.393 1
1 219 . 13 1 1 A 24 24 ASN H H 24 8.248 7.855 0.393 1
1 220 . 13 1 1 A 24 24 ASN HA H 24 4.055 4.615 -0.560 1
1 225 . 13 1 1 A 24 24 ASN C C 24 173.702 173.599 0.103 1
1 226 . 13 1 1 A 24 24 ASN CA C 24 54.794 54.371 0.423 1
1 227 . 13 1 1 A 24 24 ASN CB C 24 37.940 36.545 1.395 1
1 228 . 13 1 1 A 24 24 ASN N N 24 116.693 115.132 1.561 1
1 230 . 13 1 1 A 25 25 LYS H H 25 7.604 7.490 0.114 1
1 231 . 13 1 1 A 25 25 LYS HA H 25 4.502 4.429 0.073 1
1 240 . 13 1 1 A 25 25 LYS C C 25 174.726 175.138 -0.412 1
1 241 . 13 1 1 A 25 25 LYS CA C 25 54.565 54.304 0.261 1
1 242 . 13 1 1 A 25 25 LYS CB C 25 35.143 34.452 0.691 1
1 246 . 13 1 1 A 25 25 LYS N N 25 116.646 117.391 -0.745 1
1 247 . 13 1 1 A 26 26 PHE H H 26 8.361 8.270 0.091 1
1 248 . 13 1 1 A 26 26 PHE HA H 26 5.005 4.531 0.474 1
1 256 . 13 1 1 A 26 26 PHE C C 26 176.228 176.103 0.125 1
1 257 . 13 1 1 A 26 26 PHE CA C 26 58.236 59.358 -1.122 1
1 258 . 13 1 1 A 26 26 PHE CB C 26 41.148 39.373 1.775 1
1 264 . 13 1 1 A 26 26 PHE N N 26 118.446 121.767 -3.321 1
1 265 . 13 1 1 A 27 27 TYR H H 27 8.851 8.982 -0.131 1
1 266 . 13 1 1 A 27 27 TYR HA H 27 5.045 4.997 0.048 1
1 273 . 13 1 1 A 27 27 TYR C C 27 175.380 174.716 0.664 1
1 274 . 13 1 1 A 27 27 TYR CA C 27 56.594 56.483 0.111 1
1 275 . 13 1 1 A 27 27 TYR CB C 27 43.856 41.944 1.912 1
1 280 . 13 1 1 A 27 27 TYR N N 27 118.823 123.450 -4.627 1
1 281 . 13 1 1 A 28 28 ARG H H 28 9.026 8.220 0.806 1
1 282 . 13 1 1 A 28 28 ARG HA H 28 4.202 3.128 1.074 1
1 290 . 13 1 1 A 28 28 ARG C C 28 175.789 175.312 0.477 1
1 291 . 13 1 1 A 28 28 ARG CA C 28 57.142 56.586 0.556 1
1 292 . 13 1 1 A 28 28 ARG CB C 28 30.291 30.880 -0.589 1
1 295 . 13 1 1 A 28 28 ARG N N 28 122.262 123.154 -0.892 1
1 297 . 13 1 1 A 29 29 ALA H H 29 9.157 8.798 0.359 1
1 298 . 13 1 1 A 29 29 ALA HA H 29 5.098 5.040 0.058 1
1 302 . 13 1 1 A 29 29 ALA C C 29 175.247 174.880 0.367 1
1 303 . 13 1 1 A 29 29 ALA CA C 29 51.188 51.046 0.142 1
1 304 . 13 1 1 A 29 29 ALA CB C 29 23.153 23.175 -0.022 1
1 305 . 13 1 1 A 29 29 ALA N N 29 126.768 127.016 -0.248 1
1 306 . 13 1 1 A 30 30 GLU H H 30 8.167 8.616 -0.449 1
1 307 . 13 1 1 A 30 30 GLU HA H 30 5.085 4.739 0.346 1
1 312 . 13 1 1 A 30 30 GLU C C 30 176.265 174.786 1.479 1
1 313 . 13 1 1 A 30 30 GLU CA C 30 53.948 55.195 -1.247 1
1 314 . 13 1 1 A 30 30 GLU CB C 30 33.622 33.700 -0.078 1
1 316 . 13 1 1 A 30 30 GLU N N 30 118.036 118.365 -0.329 1
1 317 . 13 1 1 A 31 31 VAL H H 31 8.961 8.836 0.125 1
1 318 . 13 1 1 A 31 31 VAL HA H 31 3.545 3.921 -0.376 1
1 326 . 13 1 1 A 31 31 VAL C C 31 175.369 176.126 -0.757 1
1 327 . 13 1 1 A 31 31 VAL CA C 31 64.571 63.299 1.272 1
1 328 . 13 1 1 A 31 31 VAL CB C 31 31.678 30.834 0.844 1
1 331 . 13 1 1 A 31 31 VAL N N 31 124.010 127.258 -3.248 1
1 332 . 13 1 1 A 32 32 GLU H H 32 9.483 9.223 0.260 1
1 333 . 13 1 1 A 32 32 GLU HA H 32 4.627 4.274 0.353 1
1 338 . 13 1 1 A 32 32 GLU C C 32 175.695 176.194 -0.499 1
1 339 . 13 1 1 A 32 32 GLU CA C 32 56.841 58.639 -1.798 1
1 340 . 13 1 1 A 32 32 GLU CB C 32 30.661 30.651 0.010 1
1 342 . 13 1 1 A 32 32 GLU N N 32 130.912 129.605 1.307 1
1 343 . 13 1 1 A 33 33 ALA H H 33 7.838 7.461 0.377 1
1 344 . 13 1 1 A 33 33 ALA HA H 33 4.456 4.712 -0.256 1
1 348 . 13 1 1 A 33 33 ALA C C 33 174.956 176.038 -1.082 1
1 349 . 13 1 1 A 33 33 ALA CA C 33 51.777 51.686 0.091 1
1 350 . 13 1 1 A 33 33 ALA CB C 33 22.189 22.733 -0.544 1
1 351 . 13 1 1 A 33 33 ALA N N 33 117.714 119.079 -1.365 1
1 352 . 13 1 1 A 34 34 LEU H H 34 8.954 8.838 0.116 1
1 353 . 13 1 1 A 34 34 LEU HA H 34 4.702 4.742 -0.040 1
1 363 . 13 1 1 A 34 34 LEU C C 34 176.325 176.742 -0.417 1
1 364 . 13 1 1 A 34 34 LEU CA C 34 53.559 54.059 -0.500 1
1 365 . 13 1 1 A 34 34 LEU CB C 34 42.381 42.890 -0.509 1
1 369 . 13 1 1 A 34 34 LEU N N 34 122.418 122.806 -0.388 1
1 370 . 13 1 1 A 35 35 HIS H H 35 8.022 8.271 -0.249 1
1 371 . 13 1 1 A 35 35 HIS HA H 35 4.544 4.855 -0.311 1
1 376 . 13 1 1 A 35 35 HIS C C 35 178.300 176.012 2.288 1
1 377 . 13 1 1 A 35 35 HIS CA C 35 57.706 56.150 1.556 1
1 378 . 13 1 1 A 35 35 HIS CB C 35 32.594 31.315 1.279 1
1 381 . 13 1 1 A 35 35 HIS N N 35 123.729 122.210 1.519 1
1 382 . 13 1 1 A 37 37 SER H H 37 10.111 7.953 2.158 1
1 383 . 13 1 1 A 37 37 SER HA H 37 4.339 4.239 0.100 1
1 386 . 13 1 1 A 37 37 SER C C 37 176.434 174.973 1.461 1
1 387 . 13 1 1 A 37 37 SER CA C 37 59.895 61.148 -1.253 1
1 388 . 13 1 1 A 37 37 SER CB C 37 63.665 63.795 -0.130 1
1 389 . 13 1 1 A 37 37 SER N N 37 119.788 115.714 4.074 1
1 390 . 13 1 1 A 38 38 GLY H H 38 8.136 8.076 0.060 1
1 391 . 13 1 1 A 38 38 GLY HA2 H 38 4.257 4.087 0.170 1
1 392 . 13 1 1 A 38 38 GLY HA3 H 38 3.981 4.113 -0.132 1
1 393 . 13 1 1 A 38 38 GLY C C 38 174.441 174.554 -0.113 1
1 394 . 13 1 1 A 38 38 GLY CA C 38 46.006 45.845 0.161 1
1 395 . 13 1 1 A 38 38 GLY N N 38 108.557 107.956 0.601 1
1 396 . 13 1 1 A 39 39 MET H H 39 8.180 8.267 -0.087 1
1 397 . 13 1 1 A 39 39 MET HA H 39 4.789 4.692 0.097 1
1 405 . 13 1 1 A 39 39 MET C C 39 177.404 176.108 1.296 1
1 406 . 13 1 1 A 39 39 MET CA C 39 55.889 56.526 -0.637 1
1 407 . 13 1 1 A 39 39 MET CB C 39 34.033 35.332 -1.299 1
1 410 . 13 1 1 A 39 39 MET N N 39 113.829 116.174 -2.345 1
1 411 . 13 1 1 A 40 40 THR H H 40 7.174 8.027 -0.853 1
1 412 . 13 1 1 A 40 40 THR HA H 40 5.182 4.906 0.276 1
1 417 . 13 1 1 A 40 40 THR C C 40 172.981 173.756 -0.775 1
1 418 . 13 1 1 A 40 40 THR CA C 40 59.559 60.163 -0.604 1
1 419 . 13 1 1 A 40 40 THR CB C 40 73.120 71.645 1.475 1
1 421 . 13 1 1 A 40 40 THR N N 40 108.160 109.600 -1.440 1
1 422 . 13 1 1 A 41 41 ALA H H 41 9.245 8.468 0.777 1
1 423 . 13 1 1 A 41 41 ALA HA H 41 4.932 4.894 0.038 1
1 427 . 13 1 1 A 41 41 ALA C C 41 175.635 176.018 -0.383 1
1 428 . 13 1 1 A 41 41 ALA CA C 41 50.417 51.817 -1.400 1
1 429 . 13 1 1 A 41 41 ALA CB C 41 22.600 22.803 -0.203 1
1 430 . 13 1 1 A 41 41 ALA N N 41 122.138 121.927 0.211 1
1 431 . 13 1 1 A 42 42 VAL H H 42 8.773 8.934 -0.161 1
1 432 . 13 1 1 A 42 42 VAL HA H 42 4.789 4.181 0.608 1
1 440 . 13 1 1 A 42 42 VAL C C 42 176.410 175.568 0.842 1
1 441 . 13 1 1 A 42 42 VAL CA C 42 62.083 63.017 -0.934 1
1 442 . 13 1 1 A 42 42 VAL CB C 42 32.776 31.191 1.585 1
1 445 . 13 1 1 A 42 42 VAL N N 42 120.320 122.850 -2.530 1
1 446 . 13 1 1 A 43 43 VAL H H 43 9.224 8.588 0.636 1
1 447 . 13 1 1 A 43 43 VAL HA H 43 5.013 5.078 -0.065 1
1 455 . 13 1 1 A 43 43 VAL C C 43 172.532 173.779 -1.247 1
1 456 . 13 1 1 A 43 43 VAL CA C 43 57.812 59.116 -1.304 1
1 457 . 13 1 1 A 43 43 VAL CB C 43 34.280 34.026 0.254 1
1 460 . 13 1 1 A 43 43 VAL N N 43 121.151 121.918 -0.767 1
1 461 . 13 1 1 A 44 44 LYS H H 44 8.645 8.737 -0.092 1
1 462 . 13 1 1 A 44 44 LYS HA H 44 4.627 4.908 -0.281 1
1 471 . 13 1 1 A 44 44 LYS C C 44 177.419 175.044 2.375 1
1 472 . 13 1 1 A 44 44 LYS CA C 44 53.612 54.373 -0.761 1
1 473 . 13 1 1 A 44 44 LYS CB C 44 35.143 35.178 -0.035 1
1 477 . 13 1 1 A 44 44 LYS N N 44 121.425 123.488 -2.063 1
1 478 . 13 1 1 A 45 45 PHE H H 45 8.823 8.788 0.035 1
1 479 . 13 1 1 A 45 45 PHE HA H 45 4.505 4.631 -0.126 1
1 487 . 13 1 1 A 45 45 PHE C C 45 177.585 176.489 1.096 1
1 488 . 13 1 1 A 45 45 PHE CA C 45 59.841 58.178 1.663 1
1 489 . 13 1 1 A 45 45 PHE CB C 45 38.598 39.477 -0.879 1
1 495 . 13 1 1 A 45 45 PHE N N 45 128.232 125.792 2.440 1
1 496 . 13 1 1 A 46 46 THR H H 46 8.281 8.479 -0.198 1
1 497 . 13 1 1 A 46 46 THR HA H 46 3.738 3.987 -0.249 1
1 502 . 13 1 1 A 46 46 THR C C 46 176.410 175.597 0.813 1
1 503 . 13 1 1 A 46 46 THR CA C 46 65.930 65.543 0.387 1
1 504 . 13 1 1 A 46 46 THR CB C 46 68.743 68.785 -0.042 1
1 506 . 13 1 1 A 46 46 THR N N 46 120.729 120.488 0.241 1
1 507 . 13 1 1 A 47 47 ASP H H 47 9.166 8.088 1.078 1
1 508 . 13 1 1 A 47 47 ASP HA H 47 4.300 3.995 0.305 1
1 511 . 13 1 1 A 47 47 ASP C C 47 176.844 177.298 -0.454 1
1 512 . 13 1 1 A 47 47 ASP CA C 47 57.283 56.815 0.468 1
1 513 . 13 1 1 A 47 47 ASP CB C 47 40.037 40.380 -0.343 1
1 514 . 13 1 1 A 47 47 ASP N N 47 120.635 120.752 -0.117 1
1 515 . 13 1 1 A 48 48 TYR H H 48 7.676 7.458 0.218 1
1 516 . 13 1 1 A 48 48 TYR HA H 48 4.605 4.638 -0.033 1
1 523 . 13 1 1 A 48 48 TYR C C 48 177.343 176.010 1.333 1
1 524 . 13 1 1 A 48 48 TYR CA C 48 57.777 58.099 -0.322 1
1 525 . 13 1 1 A 48 48 TYR CB C 48 39.914 40.617 -0.703 1
1 530 . 13 1 1 A 48 48 TYR N N 48 114.763 114.297 0.466 1
1 531 . 13 1 1 A 49 49 GLY H H 49 8.065 8.348 -0.283 1
1 532 . 13 1 1 A 49 49 GLY HA2 H 49 4.023 4.006 0.017 1
1 533 . 13 1 1 A 49 49 GLY HA3 H 49 3.571 4.014 -0.443 1
1 534 . 13 1 1 A 49 49 GLY C C 49 172.707 174.059 -1.352 1
1 535 . 13 1 1 A 49 49 GLY CA C 49 46.165 45.540 0.625 1
1 536 . 13 1 1 A 49 49 GLY N N 49 107.679 107.688 -0.009 1
1 537 . 13 1 1 A 50 50 ASN H H 50 8.836 8.092 0.744 1
1 538 . 13 1 1 A 50 50 ASN HA H 50 4.777 5.133 -0.356 1
1 543 . 13 1 1 A 50 50 ASN C C 50 173.696 173.386 0.310 1
1 544 . 13 1 1 A 50 50 ASN CA C 50 52.747 51.434 1.313 1
1 545 . 13 1 1 A 50 50 ASN CB C 50 37.710 40.904 -3.194 1
1 546 . 13 1 1 A 50 50 ASN N N 50 114.795 116.239 -1.444 1
1 548 . 13 1 1 A 51 51 TYR H H 51 8.726 8.647 0.079 1
1 549 . 13 1 1 A 51 51 TYR HA H 51 5.696 5.240 0.456 1
1 556 . 13 1 1 A 51 51 TYR C C 51 176.871 175.880 0.991 1
1 557 . 13 1 1 A 51 51 TYR CA C 51 56.789 58.655 -1.866 1
1 558 . 13 1 1 A 51 51 TYR CB C 51 40.037 39.959 0.078 1
1 563 . 13 1 1 A 51 51 TYR N N 51 120.703 122.337 -1.634 1
1 564 . 13 1 1 A 52 52 GLU H H 52 8.995 9.200 -0.205 1
1 565 . 13 1 1 A 52 52 GLU HA H 52 4.981 5.094 -0.113 1
1 570 . 13 1 1 A 52 52 GLU C C 52 174.629 175.462 -0.833 1
1 571 . 13 1 1 A 52 52 GLU CA C 52 54.070 55.105 -1.035 1
1 572 . 13 1 1 A 52 52 GLU CB C 52 34.814 33.642 1.172 1
1 574 . 13 1 1 A 52 52 GLU N N 52 118.929 121.988 -3.059 1
1 575 . 13 1 1 A 53 53 GLU H H 53 8.995 8.686 0.309 1
1 576 . 13 1 1 A 53 53 GLU HA H 53 5.175 4.619 0.556 1
1 581 . 13 1 1 A 53 53 GLU C C 53 176.301 175.481 0.820 1
1 582 . 13 1 1 A 53 53 GLU CA C 53 55.500 56.488 -0.988 1
1 583 . 13 1 1 A 53 53 GLU CB C 53 30.537 29.934 0.603 1
1 585 . 13 1 1 A 53 53 GLU N N 53 122.819 125.279 -2.460 1
1 586 . 13 1 1 A 54 54 VAL H H 54 9.375 8.167 1.208 1
1 587 . 13 1 1 A 54 54 VAL HA H 54 4.739 4.706 0.033 1
1 595 . 13 1 1 A 54 54 VAL C C 54 175.017 174.981 0.036 1
1 596 . 13 1 1 A 54 54 VAL CA C 54 59.647 60.659 -1.012 1
1 597 . 13 1 1 A 54 54 VAL CB C 54 36.171 35.825 0.346 1
1 600 . 13 1 1 A 54 54 VAL N N 54 125.177 126.823 -1.646 1
1 601 . 13 1 1 A 55 55 LEU H H 55 8.744 8.524 0.220 1
1 602 . 13 1 1 A 55 55 LEU HA H 55 4.500 4.439 0.061 1
1 612 . 13 1 1 A 55 55 LEU C C 55 179.440 178.596 0.844 1
1 613 . 13 1 1 A 55 55 LEU CA C 55 55.495 54.875 0.620 1
1 614 . 13 1 1 A 55 55 LEU CB C 55 42.628 42.180 0.448 1
1 618 . 13 1 1 A 55 55 LEU N N 55 123.920 125.687 -1.767 1
1 619 . 13 1 1 A 56 56 LEU H H 56 8.324 8.968 -0.644 1
1 620 . 13 1 1 A 56 56 LEU HA H 56 3.855 4.070 -0.215 1
1 630 . 13 1 1 A 56 56 LEU C C 56 178.810 179.142 -0.332 1
1 631 . 13 1 1 A 56 56 LEU CA C 56 57.883 57.696 0.187 1
1 632 . 13 1 1 A 56 56 LEU CB C 56 41.330 41.494 -0.164 1
1 636 . 13 1 1 A 56 56 LEU N N 56 123.383 123.496 -0.113 1
1 637 . 13 1 1 A 57 57 SER H H 57 7.886 8.181 -0.295 1
1 638 . 13 1 1 A 57 57 SER HA H 57 4.364 4.436 -0.072 1
1 641 . 13 1 1 A 57 57 SER C C 57 174.944 175.232 -0.288 1
1 642 . 13 1 1 A 57 57 SER CA C 57 59.859 60.623 -0.764 1
1 643 . 13 1 1 A 57 57 SER CB C 57 62.509 62.884 -0.375 1
1 644 . 13 1 1 A 57 57 SER N N 57 109.927 113.901 -3.974 1
1 645 . 13 1 1 A 58 58 ASN H H 58 8.085 7.913 0.172 1
1 646 . 13 1 1 A 58 58 ASN HA H 58 5.275 5.106 0.169 1
1 651 . 13 1 1 A 58 58 ASN C C 58 172.402 173.827 -1.425 1
1 652 . 13 1 1 A 58 58 ASN CA C 58 52.535 53.188 -0.653 1
1 653 . 13 1 1 A 58 58 ASN CB C 58 39.585 39.220 0.365 1
1 654 . 13 1 1 A 58 58 ASN N N 58 120.812 118.760 2.052 1
1 656 . 13 1 1 A 59 59 ILE H H 59 7.291 7.342 -0.051 1
1 657 . 13 1 1 A 59 59 ILE HA H 59 5.125 5.169 -0.044 1
1 667 . 13 1 1 A 59 59 ILE C C 59 174.980 174.631 0.349 1
1 668 . 13 1 1 A 59 59 ILE CA C 59 60.659 59.912 0.747 1
1 669 . 13 1 1 A 59 59 ILE CB C 59 39.996 40.702 -0.706 1
1 673 . 13 1 1 A 59 59 ILE N N 59 115.444 121.637 -6.193 1
1 674 . 13 1 1 A 60 60 LYS H H 60 9.366 8.927 0.439 1
1 675 . 13 1 1 A 60 60 LYS HA H 60 5.300 4.832 0.468 1
1 684 . 13 1 1 A 60 60 LYS C C 60 173.381 174.310 -0.929 1
1 685 . 13 1 1 A 60 60 LYS CA C 60 52.977 52.484 0.493 1
1 686 . 13 1 1 A 60 60 LYS CB C 60 34.814 34.357 0.457 1
1 690 . 13 1 1 A 60 60 LYS N N 60 122.819 126.438 -3.619 1
1 691 . 13 1 1 A 61 61 PRO HA H 61 5.027 5.088 -0.061 1
1 698 . 13 1 1 A 61 61 PRO C C 61 176.256 176.262 -0.006 1
1 699 . 13 1 1 A 61 61 PRO CA C 61 62.754 62.947 -0.193 1
1 700 . 13 1 1 A 61 61 PRO CB C 61 32.594 32.079 0.515 1
1 703 . 13 1 1 A 62 62 VAL H H 62 8.525 8.580 -0.055 1
1 704 . 13 1 1 A 62 62 VAL HA H 62 3.969 4.397 -0.428 1
1 712 . 13 1 1 A 62 62 VAL C C 62 176.192 175.795 0.397 1
1 713 . 13 1 1 A 62 62 VAL CA C 62 62.895 60.777 2.118 1
1 714 . 13 1 1 A 62 62 VAL CB C 62 32.059 33.794 -1.735 1
1 717 . 13 1 1 A 62 62 VAL N N 62 117.807 122.461 -4.654 1
1 718 . 13 1 1 A 63 63 GLN H H 63 7.815 8.363 -0.548 1
1 719 . 13 1 1 A 63 63 GLN HA H 63 4.415 4.177 0.238 1
1 726 . 13 1 1 A 63 63 GLN C C 63 175.716 175.896 -0.180 1
1 727 . 13 1 1 A 63 63 GLN CA C 63 55.535 57.108 -1.573 1
1 728 . 13 1 1 A 63 63 GLN CB C 63 29.468 29.123 0.345 1
1 730 . 13 1 1 A 63 63 GLN N N 63 122.188 125.412 -3.224 1
1 732 . 13 1 1 A 64 64 THR H H 64 8.185 8.972 -0.787 1
1 733 . 13 1 1 A 64 64 THR HA H 64 4.154 4.711 -0.557 1
1 738 . 13 1 1 A 64 64 THR C C 64 174.616 174.505 0.111 1
1 739 . 13 1 1 A 64 64 THR CA C 64 62.277 60.518 1.759 1
1 740 . 13 1 1 A 64 64 THR CB C 64 69.565 67.253 2.312 1
1 742 . 13 1 1 A 64 64 THR N N 64 116.169 118.021 -1.852 1
1 743 . 13 1 1 A 65 65 GLU H H 65 8.460 8.036 0.424 1
1 744 . 13 1 1 A 65 65 GLU HA H 65 4.174 4.753 -0.579 1
1 749 . 13 1 1 A 65 65 GLU C C 65 176.216 177.080 -0.864 1
1 750 . 13 1 1 A 65 65 GLU CA C 65 56.647 56.009 0.638 1
1 751 . 13 1 1 A 65 65 GLU CB C 65 30.044 29.855 0.189 1
1 753 . 13 1 1 A 65 65 GLU N N 65 123.014 124.211 -1.197 1
1 754 . 13 1 1 A 66 66 ALA H H 66 8.245 8.167 0.078 1
1 755 . 13 1 1 A 66 66 ALA HA H 66 4.205 4.628 -0.423 1
1 759 . 13 1 1 A 66 66 ALA C C 66 177.258 177.506 -0.248 1
1 760 . 13 1 1 A 66 66 ALA CA C 66 52.730 51.762 0.968 1
1 761 . 13 1 1 A 66 66 ALA CB C 66 19.064 18.988 0.076 1
1 762 . 13 1 1 A 66 66 ALA N N 66 124.251 122.498 1.753 1
1 763 . 13 1 1 A 67 67 TRP H H 67 7.875 7.970 -0.095 1
1 764 . 13 1 1 A 67 67 TRP HA H 67 4.609 4.602 0.007 1
1 772 . 13 1 1 A 67 67 TRP C C 67 175.889 176.083 -0.194 1
1 773 . 13 1 1 A 67 67 TRP CA C 67 57.106 56.873 0.233 1
1 774 . 13 1 1 A 67 67 TRP CB C 67 29.427 28.232 1.195 1
1 779 . 13 1 1 A 67 67 TRP N N 67 119.568 121.014 -1.446 1
1 781 . 13 1 1 A 68 68 VAL H H 68 7.815 8.102 -0.287 1
1 782 . 13 1 1 A 68 68 VAL HA H 68 3.917 4.578 -0.661 1
1 790 . 13 1 1 A 68 68 VAL C C 68 175.368 174.507 0.861 1
1 791 . 13 1 1 A 68 68 VAL CA C 68 62.189 61.639 0.550 1
1 792 . 13 1 1 A 68 68 VAL CB C 68 32.981 32.444 0.537 1
1 795 . 13 1 1 A 68 68 VAL N N 68 122.485 120.870 1.615 1
1 796 . 13 1 1 A 69 69 ARG H H 69 8.084 8.884 -0.800 1
1 797 . 13 1 1 A 69 69 ARG HA H 69 4.107 4.743 -0.636 1
1 804 . 13 1 1 A 69 69 ARG C C 69 175.465 175.771 -0.306 1
1 805 . 13 1 1 A 69 69 ARG CA C 69 55.841 55.177 0.664 1
1 806 . 13 1 1 A 69 69 ARG CB C 69 30.949 31.488 -0.539 1
1 809 . 13 1 1 A 69 69 ARG N N 69 124.540 127.137 -2.597 1
1 810 . 13 1 1 A 70 70 ASP H H 70 8.365 8.565 -0.200 1
1 811 . 13 1 1 A 70 70 ASP HA H 70 4.780 4.591 0.189 1
1 814 . 13 1 1 A 70 70 ASP C C 70 175.319 174.449 0.870 1
1 815 . 13 1 1 A 70 70 ASP CA C 70 51.882 53.147 -1.265 1
1 816 . 13 1 1 A 70 70 ASP CB C 70 41.312 40.149 1.163 1
1 817 . 13 1 1 A 70 70 ASP N N 70 123.498 127.013 -3.515 1
1 818 . 13 1 1 A 71 71 PRO HA H 71 4.355 4.608 -0.253 1
1 825 . 13 1 1 A 71 71 PRO C C 71 177.091 175.898 1.193 1
1 826 . 13 1 1 A 71 71 PRO CA C 71 63.777 62.319 1.458 1
1 827 . 13 1 1 A 71 71 PRO CB C 71 32.118 33.253 -1.135 1
1 830 . 13 1 1 A 72 72 ASN H H 72 8.521 8.219 0.302 1
1 831 . 13 1 1 A 72 72 ASN HA H 72 4.764 5.033 -0.269 1
1 836 . 13 1 1 A 72 72 ASN C C 72 175.312 175.362 -0.050 1
1 837 . 13 1 1 A 72 72 ASN CA C 72 53.471 51.926 1.545 1
1 838 . 13 1 1 A 72 72 ASN CB C 72 38.869 37.910 0.959 1
1 839 . 13 1 1 A 72 72 ASN N N 72 117.256 115.483 1.773 1
1 841 . 13 1 1 A 73 73 SER H H 73 7.937 7.667 0.270 1
1 842 . 13 1 1 A 73 73 SER HA H 73 4.429 4.399 0.030 1
1 845 . 13 1 1 A 73 73 SER C C 73 174.532 175.557 -1.025 1
1 846 . 13 1 1 A 73 73 SER CA C 73 58.642 58.281 0.361 1
1 847 . 13 1 1 A 73 73 SER CB C 73 64.137 63.958 0.179 1
1 848 . 13 1 1 A 73 73 SER N N 73 115.503 116.338 -0.835 1
1 849 . 13 1 1 A 74 74 GLY H H 74 8.206 8.692 -0.486 1
1 850 . 13 1 1 A 74 74 GLY HA2 H 74 4.071 3.829 0.242 1
1 851 . 13 1 1 A 74 74 GLY HA3 H 74 4.123 3.829 0.294 1
1 852 . 13 1 1 A 74 74 GLY C C 74 171.781 175.105 -3.324 1
1 853 . 13 1 1 A 74 74 GLY CA C 74 44.682 47.617 -2.935 1
1 854 . 13 1 1 A 74 74 GLY N N 74 110.659 113.956 -3.297 1
1 855 . 13 1 1 A 75 75 PRO HA H 75 4.446 4.369 0.077 1
1 862 . 13 1 1 A 75 75 PRO C C 75 177.407 177.794 -0.387 1
1 863 . 13 1 1 A 75 75 PRO CA C 75 63.212 64.006 -0.794 1
1 864 . 13 1 1 A 75 75 PRO CB C 75 32.182 31.875 0.307 1
1 867 . 13 1 1 A 76 76 SER H H 76 8.504 8.173 0.331 1
1 868 . 13 1 1 A 76 76 SER HA H 76 4.489 4.195 0.294 1
1 871 . 13 1 1 A 76 76 SER C C 76 174.677 175.100 -0.423 1
1 872 . 13 1 1 A 76 76 SER CA C 76 58.359 58.990 -0.631 1
1 873 . 13 1 1 A 76 76 SER CB C 76 64.013 61.013 3.000 1
1 874 . 13 1 1 A 76 76 SER N N 76 116.388 114.255 2.133 1
1 875 . 13 1 1 A 77 77 SER H H 77 8.312 8.214 0.098 1
1 876 . 13 1 1 A 77 77 SER C C 77 173.914 174.894 -0.980 1
1 877 . 13 1 1 A 77 77 SER CA C 77 58.342 61.094 -2.752 1
1 878 . 13 1 1 A 77 77 SER CB C 77 64.013 63.171 0.842 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.892 4.041 -0.149 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.892 4.042 -0.150 1
1 3 . 14 1 1 A 7 7 GLY C C 7 173.405 172.570 0.835 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.070 44.603 0.467 1
1 5 . 14 1 1 A 8 8 LYS H H 8 7.913 8.493 -0.580 1
1 6 . 14 1 1 A 8 8 LYS HA H 8 4.031 4.883 -0.852 1
1 15 . 14 1 1 A 8 8 LYS C C 8 175.501 173.703 1.798 1
1 16 . 14 1 1 A 8 8 LYS CA C 8 55.765 54.840 0.925 1
1 17 . 14 1 1 A 8 8 LYS CB C 8 33.046 35.033 -1.987 1
1 21 . 14 1 1 A 8 8 LYS N N 8 121.849 124.381 -2.532 1
1 22 . 14 1 1 A 9 9 VAL H H 9 8.175 8.821 -0.646 1
1 23 . 14 1 1 A 9 9 VAL HA H 9 4.082 4.896 -0.814 1
1 31 . 14 1 1 A 9 9 VAL C C 9 175.680 174.031 1.649 1
1 32 . 14 1 1 A 9 9 VAL CA C 9 61.571 59.466 2.105 1
1 33 . 14 1 1 A 9 9 VAL CB C 9 32.224 34.425 -2.201 1
1 36 . 14 1 1 A 9 9 VAL N N 9 125.536 125.936 -0.400 1
1 37 . 14 1 1 A 10 10 TRP H H 10 8.125 8.755 -0.630 1
1 38 . 14 1 1 A 10 10 TRP HA H 10 4.667 5.038 -0.371 1
1 47 . 14 1 1 A 10 10 TRP C C 10 174.859 176.187 -1.328 1
1 48 . 14 1 1 A 10 10 TRP CA C 10 57.088 57.166 -0.078 1
1 49 . 14 1 1 A 10 10 TRP CB C 10 31.730 31.373 0.357 1
1 55 . 14 1 1 A 10 10 TRP N N 10 127.817 129.087 -1.270 1
1 57 . 14 1 1 A 11 11 LYS H H 11 9.090 9.391 -0.301 1
1 58 . 14 1 1 A 11 11 LYS HA H 11 4.856 5.006 -0.150 1
1 67 . 14 1 1 A 11 11 LYS C C 11 172.968 173.517 -0.549 1
1 68 . 14 1 1 A 11 11 LYS CA C 11 53.330 53.826 -0.496 1
1 69 . 14 1 1 A 11 11 LYS CB C 11 33.827 35.930 -2.103 1
1 73 . 14 1 1 A 11 11 LYS N N 11 120.688 118.857 1.831 1
1 74 . 14 1 1 A 12 12 PRO HA H 12 3.894 4.401 -0.507 1
1 81 . 14 1 1 A 12 12 PRO C C 12 177.287 177.556 -0.269 1
1 82 . 14 1 1 A 12 12 PRO CA C 12 63.812 63.707 0.105 1
1 83 . 14 1 1 A 12 12 PRO CB C 12 31.278 31.251 0.027 1
1 86 . 14 1 1 A 13 13 GLY H H 13 9.494 8.702 0.792 1
1 87 . 14 1 1 A 13 13 GLY HA2 H 13 4.431 4.036 0.395 1
1 88 . 14 1 1 A 13 13 GLY HA3 H 13 3.746 4.039 -0.293 1
1 89 . 14 1 1 A 13 13 GLY C C 13 174.798 173.576 1.222 1
1 90 . 14 1 1 A 13 13 GLY CA C 13 44.559 45.298 -0.739 1
1 91 . 14 1 1 A 13 13 GLY N N 13 114.764 112.727 2.037 1
1 92 . 14 1 1 A 14 14 ASP H H 14 8.005 7.973 0.032 1
1 93 . 14 1 1 A 14 14 ASP HA H 14 4.665 4.922 -0.257 1
1 96 . 14 1 1 A 14 14 ASP C C 14 176.143 175.871 0.272 1
1 97 . 14 1 1 A 14 14 ASP CA C 14 55.553 53.307 2.246 1
1 98 . 14 1 1 A 14 14 ASP CB C 14 41.600 43.668 -2.068 1
1 99 . 14 1 1 A 14 14 ASP N N 14 121.257 119.864 1.393 1
1 100 . 14 1 1 A 15 15 GLU H H 15 8.645 8.743 -0.098 1
1 101 . 14 1 1 A 15 15 GLU HA H 15 4.852 4.379 0.473 1
1 106 . 14 1 1 A 15 15 GLU C C 15 175.679 176.428 -0.749 1
1 107 . 14 1 1 A 15 15 GLU CA C 15 55.783 56.678 -0.895 1
1 108 . 14 1 1 A 15 15 GLU CB C 15 31.295 29.917 1.378 1
1 110 . 14 1 1 A 15 15 GLU N N 15 121.409 124.991 -3.582 1
1 111 . 14 1 1 A 16 16 CYS H H 16 8.735 9.146 -0.411 1
1 112 . 14 1 1 A 16 16 CYS HA H 16 5.086 5.153 -0.067 1
1 115 . 14 1 1 A 16 16 CYS C C 16 172.636 173.071 -0.435 1
1 116 . 14 1 1 A 16 16 CYS CA C 16 56.418 56.550 -0.132 1
1 117 . 14 1 1 A 16 16 CYS CB C 16 32.553 31.285 1.268 1
1 118 . 14 1 1 A 16 16 CYS N N 16 116.207 121.153 -4.946 1
1 119 . 14 1 1 A 17 17 PHE H H 17 9.125 9.000 0.125 1
1 120 . 14 1 1 A 17 17 PHE HA H 17 5.235 5.613 -0.378 1
1 128 . 14 1 1 A 17 17 PHE C C 17 174.823 175.126 -0.303 1
1 129 . 14 1 1 A 17 17 PHE CA C 17 57.547 57.157 0.390 1
1 130 . 14 1 1 A 17 17 PHE CB C 17 42.053 41.034 1.019 1
1 136 . 14 1 1 A 17 17 PHE N N 17 116.836 119.547 -2.711 1
1 137 . 14 1 1 A 18 18 ALA H H 18 9.373 9.089 0.284 1
1 138 . 14 1 1 A 18 18 ALA HA H 18 5.552 5.336 0.216 1
1 142 . 14 1 1 A 18 18 ALA C C 18 175.841 176.028 -0.187 1
1 143 . 14 1 1 A 18 18 ALA CA C 18 50.147 50.048 0.099 1
1 144 . 14 1 1 A 18 18 ALA CB C 18 23.798 21.606 2.192 1
1 145 . 14 1 1 A 18 18 ALA N N 18 122.751 126.747 -3.996 1
1 146 . 14 1 1 A 19 19 LEU H H 19 7.487 8.873 -1.386 1
1 147 . 14 1 1 A 19 19 LEU HA H 19 3.514 4.815 -1.301 1
1 157 . 14 1 1 A 19 19 LEU C C 19 175.598 176.685 -1.087 1
1 158 . 14 1 1 A 19 19 LEU CA C 19 55.165 54.731 0.434 1
1 159 . 14 1 1 A 19 19 LEU CB C 19 43.656 42.203 1.453 1
1 163 . 14 1 1 A 19 19 LEU N N 19 123.529 125.637 -2.108 1
1 164 . 14 1 1 A 20 20 TYR H H 20 9.405 8.619 0.786 1
1 165 . 14 1 1 A 20 20 TYR HA H 20 4.939 4.713 0.226 1
1 172 . 14 1 1 A 20 20 TYR C C 20 176.593 177.062 -0.469 1
1 173 . 14 1 1 A 20 20 TYR CA C 20 55.201 59.364 -4.163 1
1 174 . 14 1 1 A 20 20 TYR CB C 20 37.899 38.976 -1.077 1
1 179 . 14 1 1 A 20 20 TYR N N 20 132.207 126.959 5.248 1
1 180 . 14 1 1 A 21 21 TRP H H 21 8.475 7.924 0.551 1
1 181 . 14 1 1 A 21 21 TRP HA H 21 4.087 4.691 -0.604 1
1 190 . 14 1 1 A 21 21 TRP C C 21 177.283 176.799 0.484 1
1 191 . 14 1 1 A 21 21 TRP CA C 21 58.695 57.373 1.322 1
1 192 . 14 1 1 A 21 21 TRP CB C 21 28.111 30.037 -1.926 1
1 198 . 14 1 1 A 21 21 TRP N N 21 128.228 126.181 2.047 1
1 200 . 14 1 1 A 22 22 GLU H H 22 4.195 7.061 -2.866 1
1 201 . 14 1 1 A 22 22 GLU HA H 22 2.895 4.182 -1.287 1
1 206 . 14 1 1 A 22 22 GLU C C 22 176.342 176.597 -0.255 1
1 207 . 14 1 1 A 22 22 GLU CA C 22 59.753 55.623 4.130 1
1 208 . 14 1 1 A 22 22 GLU CB C 22 29.468 30.446 -0.978 1
1 210 . 14 1 1 A 22 22 GLU N N 22 117.591 118.867 -1.276 1
1 211 . 14 1 1 A 23 23 ASP H H 23 6.695 7.768 -1.073 1
1 212 . 14 1 1 A 23 23 ASP HA H 23 4.554 4.805 -0.251 1
1 215 . 14 1 1 A 23 23 ASP C C 23 176.047 176.033 0.014 1
1 216 . 14 1 1 A 23 23 ASP CA C 23 51.970 54.317 -2.347 1
1 217 . 14 1 1 A 23 23 ASP CB C 23 41.353 43.368 -2.015 1
1 218 . 14 1 1 A 23 23 ASP N N 23 112.180 116.892 -4.712 1
1 219 . 14 1 1 A 24 24 ASN H H 24 8.248 7.730 0.518 1
1 220 . 14 1 1 A 24 24 ASN HA H 24 4.055 4.457 -0.402 1
1 225 . 14 1 1 A 24 24 ASN C C 24 173.702 173.643 0.059 1
1 226 . 14 1 1 A 24 24 ASN CA C 24 54.794 54.379 0.415 1
1 227 . 14 1 1 A 24 24 ASN CB C 24 37.940 36.556 1.384 1
1 228 . 14 1 1 A 24 24 ASN N N 24 116.693 115.053 1.640 1
1 230 . 14 1 1 A 25 25 LYS H H 25 7.604 7.506 0.098 1
1 231 . 14 1 1 A 25 25 LYS HA H 25 4.502 4.556 -0.054 1
1 240 . 14 1 1 A 25 25 LYS C C 25 174.726 175.298 -0.572 1
1 241 . 14 1 1 A 25 25 LYS CA C 25 54.565 54.313 0.252 1
1 242 . 14 1 1 A 25 25 LYS CB C 25 35.143 34.382 0.761 1
1 246 . 14 1 1 A 25 25 LYS N N 25 116.646 117.512 -0.866 1
1 247 . 14 1 1 A 26 26 PHE H H 26 8.361 8.424 -0.063 1
1 248 . 14 1 1 A 26 26 PHE HA H 26 5.005 4.706 0.299 1
1 256 . 14 1 1 A 26 26 PHE C C 26 176.228 175.863 0.365 1
1 257 . 14 1 1 A 26 26 PHE CA C 26 58.236 58.820 -0.584 1
1 258 . 14 1 1 A 26 26 PHE CB C 26 41.148 39.575 1.573 1
1 264 . 14 1 1 A 26 26 PHE N N 26 118.446 120.314 -1.868 1
1 265 . 14 1 1 A 27 27 TYR H H 27 8.851 8.886 -0.035 1
1 266 . 14 1 1 A 27 27 TYR HA H 27 5.045 5.233 -0.188 1
1 273 . 14 1 1 A 27 27 TYR C C 27 175.380 174.777 0.603 1
1 274 . 14 1 1 A 27 27 TYR CA C 27 56.594 56.484 0.110 1
1 275 . 14 1 1 A 27 27 TYR CB C 27 43.856 42.373 1.483 1
1 280 . 14 1 1 A 27 27 TYR N N 27 118.823 122.050 -3.227 1
1 281 . 14 1 1 A 28 28 ARG H H 28 9.026 8.355 0.671 1
1 282 . 14 1 1 A 28 28 ARG HA H 28 4.202 3.112 1.090 1
1 290 . 14 1 1 A 28 28 ARG C C 28 175.789 175.379 0.410 1
1 291 . 14 1 1 A 28 28 ARG CA C 28 57.142 56.614 0.528 1
1 292 . 14 1 1 A 28 28 ARG CB C 28 30.291 30.841 -0.550 1
1 295 . 14 1 1 A 28 28 ARG N N 28 122.262 123.397 -1.135 1
1 297 . 14 1 1 A 29 29 ALA H H 29 9.157 8.546 0.611 1
1 298 . 14 1 1 A 29 29 ALA HA H 29 5.098 4.860 0.238 1
1 302 . 14 1 1 A 29 29 ALA C C 29 175.247 174.888 0.359 1
1 303 . 14 1 1 A 29 29 ALA CA C 29 51.188 51.215 -0.027 1
1 304 . 14 1 1 A 29 29 ALA CB C 29 23.153 22.983 0.170 1
1 305 . 14 1 1 A 29 29 ALA N N 29 126.768 127.053 -0.285 1
1 306 . 14 1 1 A 30 30 GLU H H 30 8.167 8.871 -0.704 1
1 307 . 14 1 1 A 30 30 GLU HA H 30 5.085 4.760 0.325 1
1 312 . 14 1 1 A 30 30 GLU C C 30 176.265 174.871 1.394 1
1 313 . 14 1 1 A 30 30 GLU CA C 30 53.948 55.205 -1.257 1
1 314 . 14 1 1 A 30 30 GLU CB C 30 33.622 33.706 -0.084 1
1 316 . 14 1 1 A 30 30 GLU N N 30 118.036 118.388 -0.352 1
1 317 . 14 1 1 A 31 31 VAL H H 31 8.961 8.808 0.153 1
1 318 . 14 1 1 A 31 31 VAL HA H 31 3.545 3.890 -0.345 1
1 326 . 14 1 1 A 31 31 VAL C C 31 175.369 175.816 -0.447 1
1 327 . 14 1 1 A 31 31 VAL CA C 31 64.571 63.369 1.202 1
1 328 . 14 1 1 A 31 31 VAL CB C 31 31.678 31.090 0.588 1
1 331 . 14 1 1 A 31 31 VAL N N 31 124.010 127.262 -3.252 1
1 332 . 14 1 1 A 32 32 GLU H H 32 9.483 9.299 0.184 1
1 333 . 14 1 1 A 32 32 GLU HA H 32 4.627 4.311 0.316 1
1 338 . 14 1 1 A 32 32 GLU C C 32 175.695 176.124 -0.429 1
1 339 . 14 1 1 A 32 32 GLU CA C 32 56.841 58.273 -1.432 1
1 340 . 14 1 1 A 32 32 GLU CB C 32 30.661 30.529 0.132 1
1 342 . 14 1 1 A 32 32 GLU N N 32 130.912 129.707 1.205 1
1 343 . 14 1 1 A 33 33 ALA H H 33 7.838 7.412 0.426 1
1 344 . 14 1 1 A 33 33 ALA HA H 33 4.456 4.661 -0.205 1
1 348 . 14 1 1 A 33 33 ALA C C 33 174.956 175.563 -0.607 1
1 349 . 14 1 1 A 33 33 ALA CA C 33 51.777 51.653 0.124 1
1 350 . 14 1 1 A 33 33 ALA CB C 33 22.189 22.618 -0.429 1
1 351 . 14 1 1 A 33 33 ALA N N 33 117.714 118.496 -0.782 1
1 352 . 14 1 1 A 34 34 LEU H H 34 8.954 8.626 0.328 1
1 353 . 14 1 1 A 34 34 LEU HA H 34 4.702 4.753 -0.051 1
1 363 . 14 1 1 A 34 34 LEU C C 34 176.325 176.233 0.092 1
1 364 . 14 1 1 A 34 34 LEU CA C 34 53.559 54.016 -0.457 1
1 365 . 14 1 1 A 34 34 LEU CB C 34 42.381 43.107 -0.726 1
1 369 . 14 1 1 A 34 34 LEU N N 34 122.418 121.129 1.289 1
1 370 . 14 1 1 A 35 35 HIS H H 35 8.022 8.285 -0.263 1
1 371 . 14 1 1 A 35 35 HIS HA H 35 4.544 4.899 -0.355 1
1 376 . 14 1 1 A 35 35 HIS C C 35 178.300 175.627 2.673 1
1 377 . 14 1 1 A 35 35 HIS CA C 35 57.706 54.638 3.068 1
1 378 . 14 1 1 A 35 35 HIS CB C 35 32.594 30.848 1.746 1
1 381 . 14 1 1 A 35 35 HIS N N 35 123.729 122.402 1.327 1
1 382 . 14 1 1 A 37 37 SER H H 37 10.111 7.061 3.050 1
1 383 . 14 1 1 A 37 37 SER HA H 37 4.339 4.069 0.270 1
1 386 . 14 1 1 A 37 37 SER C C 37 176.434 174.617 1.817 1
1 387 . 14 1 1 A 37 37 SER CA C 37 59.895 60.614 -0.719 1
1 388 . 14 1 1 A 37 37 SER CB C 37 63.665 63.281 0.384 1
1 389 . 14 1 1 A 37 37 SER N N 37 119.788 114.363 5.425 1
1 390 . 14 1 1 A 38 38 GLY H H 38 8.136 7.730 0.406 1
1 391 . 14 1 1 A 38 38 GLY HA2 H 38 4.257 4.008 0.249 1
1 392 . 14 1 1 A 38 38 GLY HA3 H 38 3.981 4.030 -0.049 1
1 393 . 14 1 1 A 38 38 GLY C C 38 174.441 174.368 0.073 1
1 394 . 14 1 1 A 38 38 GLY CA C 38 46.006 45.765 0.241 1
1 395 . 14 1 1 A 38 38 GLY N N 38 108.557 108.210 0.347 1
1 396 . 14 1 1 A 39 39 MET H H 39 8.180 8.179 0.001 1
1 397 . 14 1 1 A 39 39 MET HA H 39 4.789 4.692 0.097 1
1 405 . 14 1 1 A 39 39 MET C C 39 177.404 176.036 1.368 1
1 406 . 14 1 1 A 39 39 MET CA C 39 55.889 56.363 -0.474 1
1 407 . 14 1 1 A 39 39 MET CB C 39 34.033 35.591 -1.558 1
1 410 . 14 1 1 A 39 39 MET N N 39 113.829 116.314 -2.485 1
1 411 . 14 1 1 A 40 40 THR H H 40 7.174 8.228 -1.054 1
1 412 . 14 1 1 A 40 40 THR HA H 40 5.182 5.027 0.155 1
1 417 . 14 1 1 A 40 40 THR C C 40 172.981 173.726 -0.745 1
1 418 . 14 1 1 A 40 40 THR CA C 40 59.559 60.144 -0.585 1
1 419 . 14 1 1 A 40 40 THR CB C 40 73.120 71.603 1.517 1
1 421 . 14 1 1 A 40 40 THR N N 40 108.160 109.714 -1.554 1
1 422 . 14 1 1 A 41 41 ALA H H 41 9.245 8.463 0.782 1
1 423 . 14 1 1 A 41 41 ALA HA H 41 4.932 4.872 0.060 1
1 427 . 14 1 1 A 41 41 ALA C C 41 175.635 176.126 -0.491 1
1 428 . 14 1 1 A 41 41 ALA CA C 41 50.417 51.267 -0.850 1
1 429 . 14 1 1 A 41 41 ALA CB C 41 22.600 23.234 -0.634 1
1 430 . 14 1 1 A 41 41 ALA N N 41 122.138 122.004 0.134 1
1 431 . 14 1 1 A 42 42 VAL H H 42 8.773 8.859 -0.086 1
1 432 . 14 1 1 A 42 42 VAL HA H 42 4.789 4.327 0.462 1
1 440 . 14 1 1 A 42 42 VAL C C 42 176.410 175.630 0.780 1
1 441 . 14 1 1 A 42 42 VAL CA C 42 62.083 62.698 -0.615 1
1 442 . 14 1 1 A 42 42 VAL CB C 42 32.776 31.325 1.451 1
1 445 . 14 1 1 A 42 42 VAL N N 42 120.320 120.578 -0.258 1
1 446 . 14 1 1 A 43 43 VAL H H 43 9.224 8.602 0.622 1
1 447 . 14 1 1 A 43 43 VAL HA H 43 5.013 4.883 0.130 1
1 455 . 14 1 1 A 43 43 VAL C C 43 172.532 173.802 -1.270 1
1 456 . 14 1 1 A 43 43 VAL CA C 43 57.812 59.203 -1.391 1
1 457 . 14 1 1 A 43 43 VAL CB C 43 34.280 34.417 -0.137 1
1 460 . 14 1 1 A 43 43 VAL N N 43 121.151 122.413 -1.262 1
1 461 . 14 1 1 A 44 44 LYS H H 44 8.645 8.885 -0.240 1
1 462 . 14 1 1 A 44 44 LYS HA H 44 4.627 4.924 -0.297 1
1 471 . 14 1 1 A 44 44 LYS C C 44 177.419 175.989 1.430 1
1 472 . 14 1 1 A 44 44 LYS CA C 44 53.612 54.596 -0.984 1
1 473 . 14 1 1 A 44 44 LYS CB C 44 35.143 34.975 0.168 1
1 477 . 14 1 1 A 44 44 LYS N N 44 121.425 124.249 -2.824 1
1 478 . 14 1 1 A 45 45 PHE H H 45 8.823 8.694 0.129 1
1 479 . 14 1 1 A 45 45 PHE HA H 45 4.505 4.649 -0.144 1
1 487 . 14 1 1 A 45 45 PHE C C 45 177.585 176.195 1.390 1
1 488 . 14 1 1 A 45 45 PHE CA C 45 59.841 58.640 1.201 1
1 489 . 14 1 1 A 45 45 PHE CB C 45 38.598 40.072 -1.474 1
1 495 . 14 1 1 A 45 45 PHE N N 45 128.232 125.569 2.663 1
1 496 . 14 1 1 A 46 46 THR H H 46 8.281 8.427 -0.146 1
1 497 . 14 1 1 A 46 46 THR HA H 46 3.738 4.206 -0.468 1
1 502 . 14 1 1 A 46 46 THR C C 46 176.410 175.844 0.566 1
1 503 . 14 1 1 A 46 46 THR CA C 46 65.930 64.371 1.559 1
1 504 . 14 1 1 A 46 46 THR CB C 46 68.743 69.591 -0.848 1
1 506 . 14 1 1 A 46 46 THR N N 46 120.729 117.978 2.751 1
1 507 . 14 1 1 A 47 47 ASP H H 47 9.166 8.155 1.011 1
1 508 . 14 1 1 A 47 47 ASP HA H 47 4.300 4.067 0.233 1
1 511 . 14 1 1 A 47 47 ASP C C 47 176.844 177.776 -0.932 1
1 512 . 14 1 1 A 47 47 ASP CA C 47 57.283 56.900 0.383 1
1 513 . 14 1 1 A 47 47 ASP CB C 47 40.037 41.192 -1.155 1
1 514 . 14 1 1 A 47 47 ASP N N 47 120.635 121.624 -0.989 1
1 515 . 14 1 1 A 48 48 TYR H H 48 7.676 7.721 -0.045 1
1 516 . 14 1 1 A 48 48 TYR HA H 48 4.605 4.561 0.044 1
1 523 . 14 1 1 A 48 48 TYR C C 48 177.343 176.063 1.280 1
1 524 . 14 1 1 A 48 48 TYR CA C 48 57.777 59.637 -1.860 1
1 525 . 14 1 1 A 48 48 TYR CB C 48 39.914 39.846 0.068 1
1 530 . 14 1 1 A 48 48 TYR N N 48 114.763 115.367 -0.604 1
1 531 . 14 1 1 A 49 49 GLY H H 49 8.065 8.282 -0.217 1
1 532 . 14 1 1 A 49 49 GLY HA2 H 49 4.023 4.037 -0.014 1
1 533 . 14 1 1 A 49 49 GLY HA3 H 49 3.571 4.053 -0.482 1
1 534 . 14 1 1 A 49 49 GLY C C 49 172.707 174.176 -1.469 1
1 535 . 14 1 1 A 49 49 GLY CA C 49 46.165 45.362 0.803 1
1 536 . 14 1 1 A 49 49 GLY N N 49 107.679 106.785 0.894 1
1 537 . 14 1 1 A 50 50 ASN H H 50 8.836 8.069 0.767 1
1 538 . 14 1 1 A 50 50 ASN HA H 50 4.777 5.165 -0.388 1
1 543 . 14 1 1 A 50 50 ASN C C 50 173.696 173.578 0.118 1
1 544 . 14 1 1 A 50 50 ASN CA C 50 52.747 51.283 1.464 1
1 545 . 14 1 1 A 50 50 ASN CB C 50 37.710 41.591 -3.881 1
1 546 . 14 1 1 A 50 50 ASN N N 50 114.795 116.017 -1.222 1
1 548 . 14 1 1 A 51 51 TYR H H 51 8.726 8.801 -0.075 1
1 549 . 14 1 1 A 51 51 TYR HA H 51 5.696 5.066 0.630 1
1 556 . 14 1 1 A 51 51 TYR C C 51 176.871 175.422 1.449 1
1 557 . 14 1 1 A 51 51 TYR CA C 51 56.789 57.570 -0.781 1
1 558 . 14 1 1 A 51 51 TYR CB C 51 40.037 40.367 -0.330 1
1 563 . 14 1 1 A 51 51 TYR N N 51 120.703 120.429 0.274 1
1 564 . 14 1 1 A 52 52 GLU H H 52 8.995 8.915 0.080 1
1 565 . 14 1 1 A 52 52 GLU HA H 52 4.981 5.016 -0.035 1
1 570 . 14 1 1 A 52 52 GLU C C 52 174.629 175.237 -0.608 1
1 571 . 14 1 1 A 52 52 GLU CA C 52 54.070 55.249 -1.179 1
1 572 . 14 1 1 A 52 52 GLU CB C 52 34.814 33.717 1.097 1
1 574 . 14 1 1 A 52 52 GLU N N 52 118.929 121.842 -2.913 1
1 575 . 14 1 1 A 53 53 GLU H H 53 8.995 8.706 0.289 1
1 576 . 14 1 1 A 53 53 GLU HA H 53 5.175 4.563 0.612 1
1 581 . 14 1 1 A 53 53 GLU C C 53 176.301 175.427 0.874 1
1 582 . 14 1 1 A 53 53 GLU CA C 53 55.500 56.512 -1.012 1
1 583 . 14 1 1 A 53 53 GLU CB C 53 30.537 30.018 0.519 1
1 585 . 14 1 1 A 53 53 GLU N N 53 122.819 125.526 -2.707 1
1 586 . 14 1 1 A 54 54 VAL H H 54 9.375 8.228 1.147 1
1 587 . 14 1 1 A 54 54 VAL HA H 54 4.739 4.661 0.078 1
1 595 . 14 1 1 A 54 54 VAL C C 54 175.017 175.063 -0.046 1
1 596 . 14 1 1 A 54 54 VAL CA C 54 59.647 60.715 -1.068 1
1 597 . 14 1 1 A 54 54 VAL CB C 54 36.171 35.763 0.408 1
1 600 . 14 1 1 A 54 54 VAL N N 54 125.177 126.809 -1.632 1
1 601 . 14 1 1 A 55 55 LEU H H 55 8.744 8.518 0.226 1
1 602 . 14 1 1 A 55 55 LEU HA H 55 4.500 4.446 0.054 1
1 612 . 14 1 1 A 55 55 LEU C C 55 179.440 178.529 0.911 1
1 613 . 14 1 1 A 55 55 LEU CA C 55 55.495 54.823 0.672 1
1 614 . 14 1 1 A 55 55 LEU CB C 55 42.628 42.096 0.532 1
1 618 . 14 1 1 A 55 55 LEU N N 55 123.920 125.898 -1.978 1
1 619 . 14 1 1 A 56 56 LEU H H 56 8.324 8.700 -0.376 1
1 620 . 14 1 1 A 56 56 LEU HA H 56 3.855 4.087 -0.232 1
1 630 . 14 1 1 A 56 56 LEU C C 56 178.810 178.357 0.453 1
1 631 . 14 1 1 A 56 56 LEU CA C 56 57.883 57.436 0.447 1
1 632 . 14 1 1 A 56 56 LEU CB C 56 41.330 41.773 -0.443 1
1 636 . 14 1 1 A 56 56 LEU N N 56 123.383 122.843 0.540 1
1 637 . 14 1 1 A 57 57 SER H H 57 7.886 7.893 -0.007 1
1 638 . 14 1 1 A 57 57 SER HA H 57 4.364 4.466 -0.102 1
1 641 . 14 1 1 A 57 57 SER C C 57 174.944 175.326 -0.382 1
1 642 . 14 1 1 A 57 57 SER CA C 57 59.859 59.819 0.040 1
1 643 . 14 1 1 A 57 57 SER CB C 57 62.509 63.025 -0.516 1
1 644 . 14 1 1 A 57 57 SER N N 57 109.927 113.862 -3.935 1
1 645 . 14 1 1 A 58 58 ASN H H 58 8.085 8.205 -0.120 1
1 646 . 14 1 1 A 58 58 ASN HA H 58 5.275 5.075 0.200 1
1 651 . 14 1 1 A 58 58 ASN C C 58 172.402 173.766 -1.364 1
1 652 . 14 1 1 A 58 58 ASN CA C 58 52.535 53.222 -0.687 1
1 653 . 14 1 1 A 58 58 ASN CB C 58 39.585 39.325 0.260 1
1 654 . 14 1 1 A 58 58 ASN N N 58 120.812 117.397 3.415 1
1 656 . 14 1 1 A 59 59 ILE H H 59 7.291 7.236 0.055 1
1 657 . 14 1 1 A 59 59 ILE HA H 59 5.125 5.177 -0.052 1
1 667 . 14 1 1 A 59 59 ILE C C 59 174.980 174.536 0.444 1
1 668 . 14 1 1 A 59 59 ILE CA C 59 60.659 60.172 0.487 1
1 669 . 14 1 1 A 59 59 ILE CB C 59 39.996 39.832 0.164 1
1 673 . 14 1 1 A 59 59 ILE N N 59 115.444 121.360 -5.916 1
1 674 . 14 1 1 A 60 60 LYS H H 60 9.366 8.812 0.554 1
1 675 . 14 1 1 A 60 60 LYS HA H 60 5.300 4.893 0.407 1
1 684 . 14 1 1 A 60 60 LYS C C 60 173.381 174.364 -0.983 1
1 685 . 14 1 1 A 60 60 LYS CA C 60 52.977 52.516 0.461 1
1 686 . 14 1 1 A 60 60 LYS CB C 60 34.814 34.223 0.591 1
1 690 . 14 1 1 A 60 60 LYS N N 60 122.819 127.187 -4.368 1
1 691 . 14 1 1 A 61 61 PRO HA H 61 5.027 5.052 -0.025 1
1 698 . 14 1 1 A 61 61 PRO C C 61 176.256 176.625 -0.369 1
1 699 . 14 1 1 A 61 61 PRO CA C 61 62.754 63.061 -0.307 1
1 700 . 14 1 1 A 61 61 PRO CB C 61 32.594 31.941 0.653 1
1 703 . 14 1 1 A 62 62 VAL H H 62 8.525 8.515 0.010 1
1 704 . 14 1 1 A 62 62 VAL HA H 62 3.969 4.473 -0.504 1
1 712 . 14 1 1 A 62 62 VAL C C 62 176.192 175.466 0.726 1
1 713 . 14 1 1 A 62 62 VAL CA C 62 62.895 61.261 1.634 1
1 714 . 14 1 1 A 62 62 VAL CB C 62 32.059 33.459 -1.400 1
1 717 . 14 1 1 A 62 62 VAL N N 62 117.807 122.576 -4.769 1
1 718 . 14 1 1 A 63 63 GLN H H 63 7.815 8.459 -0.644 1
1 719 . 14 1 1 A 63 63 GLN HA H 63 4.415 4.211 0.204 1
1 726 . 14 1 1 A 63 63 GLN C C 63 175.716 175.798 -0.082 1
1 727 . 14 1 1 A 63 63 GLN CA C 63 55.535 55.786 -0.251 1
1 728 . 14 1 1 A 63 63 GLN CB C 63 29.468 29.123 0.345 1
1 730 . 14 1 1 A 63 63 GLN N N 63 122.188 125.590 -3.402 1
1 732 . 14 1 1 A 64 64 THR H H 64 8.185 8.542 -0.357 1
1 733 . 14 1 1 A 64 64 THR HA H 64 4.154 4.813 -0.659 1
1 738 . 14 1 1 A 64 64 THR C C 64 174.616 173.270 1.346 1
1 739 . 14 1 1 A 64 64 THR CA C 64 62.277 61.201 1.076 1
1 740 . 14 1 1 A 64 64 THR CB C 64 69.565 71.884 -2.319 1
1 742 . 14 1 1 A 64 64 THR N N 64 116.169 114.744 1.425 1
1 743 . 14 1 1 A 65 65 GLU H H 65 8.460 8.660 -0.200 1
1 744 . 14 1 1 A 65 65 GLU HA H 65 4.174 4.484 -0.310 1
1 749 . 14 1 1 A 65 65 GLU C C 65 176.216 176.965 -0.749 1
1 750 . 14 1 1 A 65 65 GLU CA C 65 56.647 55.039 1.608 1
1 751 . 14 1 1 A 65 65 GLU CB C 65 30.044 28.160 1.884 1
1 753 . 14 1 1 A 65 65 GLU N N 65 123.014 125.733 -2.719 1
1 754 . 14 1 1 A 66 66 ALA H H 66 8.245 7.940 0.305 1
1 755 . 14 1 1 A 66 66 ALA HA H 66 4.205 3.870 0.335 1
1 759 . 14 1 1 A 66 66 ALA C C 66 177.258 176.970 0.288 1
1 760 . 14 1 1 A 66 66 ALA CA C 66 52.730 54.382 -1.652 1
1 761 . 14 1 1 A 66 66 ALA CB C 66 19.064 18.521 0.543 1
1 762 . 14 1 1 A 66 66 ALA N N 66 124.251 126.521 -2.270 1
1 763 . 14 1 1 A 67 67 TRP H H 67 7.875 7.441 0.434 1
1 764 . 14 1 1 A 67 67 TRP HA H 67 4.609 5.089 -0.480 1
1 772 . 14 1 1 A 67 67 TRP C C 67 175.889 173.425 2.464 1
1 773 . 14 1 1 A 67 67 TRP CA C 67 57.106 55.814 1.292 1
1 774 . 14 1 1 A 67 67 TRP CB C 67 29.427 31.260 -1.833 1
1 779 . 14 1 1 A 67 67 TRP N N 67 119.568 113.302 6.266 1
1 781 . 14 1 1 A 68 68 VAL H H 68 7.815 9.000 -1.185 1
1 782 . 14 1 1 A 68 68 VAL HA H 68 3.917 4.643 -0.726 1
1 790 . 14 1 1 A 68 68 VAL C C 68 175.368 175.590 -0.222 1
1 791 . 14 1 1 A 68 68 VAL CA C 68 62.189 61.751 0.438 1
1 792 . 14 1 1 A 68 68 VAL CB C 68 32.981 33.045 -0.064 1
1 795 . 14 1 1 A 68 68 VAL N N 68 122.485 121.542 0.943 1
1 796 . 14 1 1 A 69 69 ARG H H 69 8.084 8.781 -0.697 1
1 797 . 14 1 1 A 69 69 ARG HA H 69 4.107 4.577 -0.470 1
1 804 . 14 1 1 A 69 69 ARG C C 69 175.465 175.581 -0.116 1
1 805 . 14 1 1 A 69 69 ARG CA C 69 55.841 56.916 -1.075 1
1 806 . 14 1 1 A 69 69 ARG CB C 69 30.949 32.106 -1.157 1
1 809 . 14 1 1 A 69 69 ARG N N 69 124.540 126.812 -2.272 1
1 810 . 14 1 1 A 70 70 ASP H H 70 8.365 7.955 0.410 1
1 811 . 14 1 1 A 70 70 ASP HA H 70 4.780 4.932 -0.152 1
1 814 . 14 1 1 A 70 70 ASP C C 70 175.319 175.092 0.227 1
1 815 . 14 1 1 A 70 70 ASP CA C 70 51.882 51.876 0.006 1
1 816 . 14 1 1 A 70 70 ASP CB C 70 41.312 41.658 -0.346 1
1 817 . 14 1 1 A 70 70 ASP N N 70 123.498 116.918 6.580 1
1 818 . 14 1 1 A 71 71 PRO HA H 71 4.355 4.608 -0.253 1
1 825 . 14 1 1 A 71 71 PRO C C 71 177.091 176.605 0.486 1
1 826 . 14 1 1 A 71 71 PRO CA C 71 63.777 62.183 1.594 1
1 827 . 14 1 1 A 71 71 PRO CB C 71 32.118 32.886 -0.768 1
1 830 . 14 1 1 A 72 72 ASN H H 72 8.521 8.564 -0.043 1
1 831 . 14 1 1 A 72 72 ASN HA H 72 4.764 4.662 0.102 1
1 836 . 14 1 1 A 72 72 ASN C C 72 175.312 174.937 0.375 1
1 837 . 14 1 1 A 72 72 ASN CA C 72 53.471 53.278 0.193 1
1 838 . 14 1 1 A 72 72 ASN CB C 72 38.869 39.601 -0.732 1
1 839 . 14 1 1 A 72 72 ASN N N 72 117.256 120.616 -3.360 1
1 841 . 14 1 1 A 73 73 SER H H 73 7.937 8.601 -0.664 1
1 842 . 14 1 1 A 73 73 SER HA H 73 4.429 4.543 -0.114 1
1 845 . 14 1 1 A 73 73 SER C C 73 174.532 174.516 0.016 1
1 846 . 14 1 1 A 73 73 SER CA C 73 58.642 58.002 0.640 1
1 847 . 14 1 1 A 73 73 SER CB C 73 64.137 64.762 -0.625 1
1 848 . 14 1 1 A 73 73 SER N N 73 115.503 117.864 -2.361 1
1 849 . 14 1 1 A 74 74 GLY H H 74 8.206 8.268 -0.062 1
1 850 . 14 1 1 A 74 74 GLY HA2 H 74 4.071 4.198 -0.127 1
1 851 . 14 1 1 A 74 74 GLY HA3 H 74 4.123 4.198 -0.075 1
1 852 . 14 1 1 A 74 74 GLY C C 74 171.781 173.013 -1.232 1
1 853 . 14 1 1 A 74 74 GLY CA C 74 44.682 43.931 0.751 1
1 854 . 14 1 1 A 74 74 GLY N N 74 110.659 107.223 3.436 1
1 855 . 14 1 1 A 75 75 PRO HA H 75 4.446 4.693 -0.247 1
1 862 . 14 1 1 A 75 75 PRO C C 75 177.407 176.523 0.884 1
1 863 . 14 1 1 A 75 75 PRO CA C 75 63.212 62.842 0.370 1
1 864 . 14 1 1 A 75 75 PRO CB C 75 32.182 31.743 0.439 1
1 867 . 14 1 1 A 76 76 SER H H 76 8.504 8.465 0.039 1
1 868 . 14 1 1 A 76 76 SER HA H 76 4.489 4.785 -0.296 1
1 871 . 14 1 1 A 76 76 SER C C 76 174.677 174.944 -0.267 1
1 872 . 14 1 1 A 76 76 SER CA C 76 58.359 57.142 1.217 1
1 873 . 14 1 1 A 76 76 SER CB C 76 64.013 65.077 -1.064 1
1 874 . 14 1 1 A 76 76 SER N N 76 116.388 119.650 -3.262 1
1 875 . 14 1 1 A 77 77 SER H H 77 8.312 9.007 -0.695 1
1 876 . 14 1 1 A 77 77 SER C C 77 173.914 175.406 -1.492 1
1 877 . 14 1 1 A 77 77 SER CA C 77 58.342 60.504 -2.162 1
1 878 . 14 1 1 A 77 77 SER CB C 77 64.013 63.714 0.299 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.892 4.164 -0.272 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.892 4.165 -0.273 1
1 3 . 15 1 1 A 7 7 GLY C C 7 173.405 173.123 0.282 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.070 45.595 -0.525 1
1 5 . 15 1 1 A 8 8 LYS H H 8 7.913 8.496 -0.583 1
1 6 . 15 1 1 A 8 8 LYS HA H 8 4.031 4.753 -0.722 1
1 15 . 15 1 1 A 8 8 LYS C C 8 175.501 175.156 0.345 1
1 16 . 15 1 1 A 8 8 LYS CA C 8 55.765 54.996 0.769 1
1 17 . 15 1 1 A 8 8 LYS CB C 8 33.046 34.163 -1.117 1
1 21 . 15 1 1 A 8 8 LYS N N 8 121.849 122.739 -0.890 1
1 22 . 15 1 1 A 9 9 VAL H H 9 8.175 8.653 -0.478 1
1 23 . 15 1 1 A 9 9 VAL HA H 9 4.082 4.620 -0.538 1
1 31 . 15 1 1 A 9 9 VAL C C 9 175.680 174.599 1.081 1
1 32 . 15 1 1 A 9 9 VAL CA C 9 61.571 60.917 0.654 1
1 33 . 15 1 1 A 9 9 VAL CB C 9 32.224 35.133 -2.909 1
1 36 . 15 1 1 A 9 9 VAL N N 9 125.536 124.946 0.590 1
1 37 . 15 1 1 A 10 10 TRP H H 10 8.125 8.769 -0.644 1
1 38 . 15 1 1 A 10 10 TRP HA H 10 4.667 5.105 -0.438 1
1 47 . 15 1 1 A 10 10 TRP C C 10 174.859 176.075 -1.216 1
1 48 . 15 1 1 A 10 10 TRP CA C 10 57.088 57.136 -0.048 1
1 49 . 15 1 1 A 10 10 TRP CB C 10 31.730 31.366 0.364 1
1 55 . 15 1 1 A 10 10 TRP N N 10 127.817 128.688 -0.871 1
1 57 . 15 1 1 A 11 11 LYS H H 11 9.090 8.996 0.094 1
1 58 . 15 1 1 A 11 11 LYS HA H 11 4.856 4.925 -0.069 1
1 67 . 15 1 1 A 11 11 LYS C C 11 172.968 174.082 -1.114 1
1 68 . 15 1 1 A 11 11 LYS CA C 11 53.330 53.230 0.100 1
1 69 . 15 1 1 A 11 11 LYS CB C 11 33.827 35.781 -1.954 1
1 73 . 15 1 1 A 11 11 LYS N N 11 120.688 120.402 0.286 1
1 74 . 15 1 1 A 12 12 PRO HA H 12 3.894 4.302 -0.408 1
1 81 . 15 1 1 A 12 12 PRO C C 12 177.287 177.650 -0.363 1
1 82 . 15 1 1 A 12 12 PRO CA C 12 63.812 63.783 0.029 1
1 83 . 15 1 1 A 12 12 PRO CB C 12 31.278 31.291 -0.013 1
1 86 . 15 1 1 A 13 13 GLY H H 13 9.494 8.705 0.789 1
1 87 . 15 1 1 A 13 13 GLY HA2 H 13 4.431 4.049 0.382 1
1 88 . 15 1 1 A 13 13 GLY HA3 H 13 3.746 4.054 -0.308 1
1 89 . 15 1 1 A 13 13 GLY C C 13 174.798 173.539 1.259 1
1 90 . 15 1 1 A 13 13 GLY CA C 13 44.559 45.453 -0.894 1
1 91 . 15 1 1 A 13 13 GLY N N 13 114.764 112.679 2.085 1
1 92 . 15 1 1 A 14 14 ASP H H 14 8.005 7.960 0.045 1
1 93 . 15 1 1 A 14 14 ASP HA H 14 4.665 5.087 -0.422 1
1 96 . 15 1 1 A 14 14 ASP C C 14 176.143 175.006 1.137 1
1 97 . 15 1 1 A 14 14 ASP CA C 14 55.553 53.120 2.433 1
1 98 . 15 1 1 A 14 14 ASP CB C 14 41.600 44.275 -2.675 1
1 99 . 15 1 1 A 14 14 ASP N N 14 121.257 119.826 1.431 1
1 100 . 15 1 1 A 15 15 GLU H H 15 8.645 8.802 -0.157 1
1 101 . 15 1 1 A 15 15 GLU HA H 15 4.852 4.908 -0.056 1
1 106 . 15 1 1 A 15 15 GLU C C 15 175.679 176.574 -0.895 1
1 107 . 15 1 1 A 15 15 GLU CA C 15 55.783 56.878 -1.095 1
1 108 . 15 1 1 A 15 15 GLU CB C 15 31.295 29.842 1.453 1
1 110 . 15 1 1 A 15 15 GLU N N 15 121.409 122.643 -1.234 1
1 111 . 15 1 1 A 16 16 CYS H H 16 8.735 9.167 -0.432 1
1 112 . 15 1 1 A 16 16 CYS HA H 16 5.086 5.331 -0.245 1
1 115 . 15 1 1 A 16 16 CYS C C 16 172.636 173.059 -0.423 1
1 116 . 15 1 1 A 16 16 CYS CA C 16 56.418 56.455 -0.037 1
1 117 . 15 1 1 A 16 16 CYS CB C 16 32.553 31.243 1.310 1
1 118 . 15 1 1 A 16 16 CYS N N 16 116.207 120.908 -4.701 1
1 119 . 15 1 1 A 17 17 PHE H H 17 9.125 9.360 -0.235 1
1 120 . 15 1 1 A 17 17 PHE HA H 17 5.235 5.814 -0.579 1
1 128 . 15 1 1 A 17 17 PHE C C 17 174.823 174.814 0.009 1
1 129 . 15 1 1 A 17 17 PHE CA C 17 57.547 57.035 0.512 1
1 130 . 15 1 1 A 17 17 PHE CB C 17 42.053 40.582 1.471 1
1 136 . 15 1 1 A 17 17 PHE N N 17 116.836 119.797 -2.961 1
1 137 . 15 1 1 A 18 18 ALA H H 18 9.373 9.105 0.268 1
1 138 . 15 1 1 A 18 18 ALA HA H 18 5.552 5.414 0.138 1
1 142 . 15 1 1 A 18 18 ALA C C 18 175.841 176.077 -0.236 1
1 143 . 15 1 1 A 18 18 ALA CA C 18 50.147 50.137 0.010 1
1 144 . 15 1 1 A 18 18 ALA CB C 18 23.798 21.218 2.580 1
1 145 . 15 1 1 A 18 18 ALA N N 18 122.751 126.833 -4.082 1
1 146 . 15 1 1 A 19 19 LEU H H 19 7.487 8.414 -0.927 1
1 147 . 15 1 1 A 19 19 LEU HA H 19 3.514 4.711 -1.197 1
1 157 . 15 1 1 A 19 19 LEU C C 19 175.598 176.532 -0.934 1
1 158 . 15 1 1 A 19 19 LEU CA C 19 55.165 55.230 -0.065 1
1 159 . 15 1 1 A 19 19 LEU CB C 19 43.656 42.838 0.818 1
1 163 . 15 1 1 A 19 19 LEU N N 19 123.529 125.677 -2.148 1
1 164 . 15 1 1 A 20 20 TYR H H 20 9.405 8.625 0.780 1
1 165 . 15 1 1 A 20 20 TYR HA H 20 4.939 4.793 0.146 1
1 172 . 15 1 1 A 20 20 TYR C C 20 176.593 177.209 -0.616 1
1 173 . 15 1 1 A 20 20 TYR CA C 20 55.201 59.478 -4.277 1
1 174 . 15 1 1 A 20 20 TYR CB C 20 37.899 39.097 -1.198 1
1 179 . 15 1 1 A 20 20 TYR N N 20 132.207 127.056 5.151 1
1 180 . 15 1 1 A 21 21 TRP H H 21 8.475 7.916 0.559 1
1 181 . 15 1 1 A 21 21 TRP HA H 21 4.087 4.701 -0.614 1
1 190 . 15 1 1 A 21 21 TRP C C 21 177.283 176.814 0.469 1
1 191 . 15 1 1 A 21 21 TRP CA C 21 58.695 57.402 1.293 1
1 192 . 15 1 1 A 21 21 TRP CB C 21 28.111 30.206 -2.095 1
1 198 . 15 1 1 A 21 21 TRP N N 21 128.228 125.987 2.241 1
1 200 . 15 1 1 A 22 22 GLU H H 22 4.195 7.186 -2.991 1
1 201 . 15 1 1 A 22 22 GLU HA H 22 2.895 4.185 -1.290 1
1 206 . 15 1 1 A 22 22 GLU C C 22 176.342 176.612 -0.270 1
1 207 . 15 1 1 A 22 22 GLU CA C 22 59.753 55.683 4.070 1
1 208 . 15 1 1 A 22 22 GLU CB C 22 29.468 30.507 -1.039 1
1 210 . 15 1 1 A 22 22 GLU N N 22 117.591 118.776 -1.185 1
1 211 . 15 1 1 A 23 23 ASP H H 23 6.695 7.796 -1.101 1
1 212 . 15 1 1 A 23 23 ASP HA H 23 4.554 4.802 -0.248 1
1 215 . 15 1 1 A 23 23 ASP C C 23 176.047 176.620 -0.573 1
1 216 . 15 1 1 A 23 23 ASP CA C 23 51.970 54.303 -2.333 1
1 217 . 15 1 1 A 23 23 ASP CB C 23 41.353 43.333 -1.980 1
1 218 . 15 1 1 A 23 23 ASP N N 23 112.180 116.393 -4.213 1
1 219 . 15 1 1 A 24 24 ASN H H 24 8.248 8.282 -0.034 1
1 220 . 15 1 1 A 24 24 ASN HA H 24 4.055 4.449 -0.394 1
1 225 . 15 1 1 A 24 24 ASN C C 24 173.702 173.717 -0.015 1
1 226 . 15 1 1 A 24 24 ASN CA C 24 54.794 54.390 0.404 1
1 227 . 15 1 1 A 24 24 ASN CB C 24 37.940 37.475 0.465 1
1 228 . 15 1 1 A 24 24 ASN N N 24 116.693 117.418 -0.725 1
1 230 . 15 1 1 A 25 25 LYS H H 25 7.604 7.506 0.098 1
1 231 . 15 1 1 A 25 25 LYS HA H 25 4.502 4.509 -0.007 1
1 240 . 15 1 1 A 25 25 LYS C C 25 174.726 175.160 -0.434 1
1 241 . 15 1 1 A 25 25 LYS CA C 25 54.565 54.270 0.295 1
1 242 . 15 1 1 A 25 25 LYS CB C 25 35.143 34.813 0.330 1
1 246 . 15 1 1 A 25 25 LYS N N 25 116.646 118.017 -1.371 1
1 247 . 15 1 1 A 26 26 PHE H H 26 8.361 8.388 -0.027 1
1 248 . 15 1 1 A 26 26 PHE HA H 26 5.005 4.648 0.357 1
1 256 . 15 1 1 A 26 26 PHE C C 26 176.228 175.845 0.383 1
1 257 . 15 1 1 A 26 26 PHE CA C 26 58.236 58.873 -0.637 1
1 258 . 15 1 1 A 26 26 PHE CB C 26 41.148 39.583 1.565 1
1 264 . 15 1 1 A 26 26 PHE N N 26 118.446 120.985 -2.539 1
1 265 . 15 1 1 A 27 27 TYR H H 27 8.851 8.886 -0.035 1
1 266 . 15 1 1 A 27 27 TYR HA H 27 5.045 5.370 -0.325 1
1 273 . 15 1 1 A 27 27 TYR C C 27 175.380 174.956 0.424 1
1 274 . 15 1 1 A 27 27 TYR CA C 27 56.594 56.591 0.003 1
1 275 . 15 1 1 A 27 27 TYR CB C 27 43.856 42.476 1.380 1
1 280 . 15 1 1 A 27 27 TYR N N 27 118.823 122.344 -3.521 1
1 281 . 15 1 1 A 28 28 ARG H H 28 9.026 8.626 0.400 1
1 282 . 15 1 1 A 28 28 ARG HA H 28 4.202 3.173 1.029 1
1 290 . 15 1 1 A 28 28 ARG C C 28 175.789 175.482 0.307 1
1 291 . 15 1 1 A 28 28 ARG CA C 28 57.142 56.658 0.484 1
1 292 . 15 1 1 A 28 28 ARG CB C 28 30.291 30.899 -0.608 1
1 295 . 15 1 1 A 28 28 ARG N N 28 122.262 123.831 -1.569 1
1 297 . 15 1 1 A 29 29 ALA H H 29 9.157 8.533 0.624 1
1 298 . 15 1 1 A 29 29 ALA HA H 29 5.098 4.761 0.337 1
1 302 . 15 1 1 A 29 29 ALA C C 29 175.247 174.917 0.330 1
1 303 . 15 1 1 A 29 29 ALA CA C 29 51.188 51.096 0.092 1
1 304 . 15 1 1 A 29 29 ALA CB C 29 23.153 23.040 0.113 1
1 305 . 15 1 1 A 29 29 ALA N N 29 126.768 126.855 -0.087 1
1 306 . 15 1 1 A 30 30 GLU H H 30 8.167 8.968 -0.801 1
1 307 . 15 1 1 A 30 30 GLU HA H 30 5.085 4.954 0.131 1
1 312 . 15 1 1 A 30 30 GLU C C 30 176.265 175.116 1.149 1
1 313 . 15 1 1 A 30 30 GLU CA C 30 53.948 55.249 -1.301 1
1 314 . 15 1 1 A 30 30 GLU CB C 30 33.622 33.651 -0.029 1
1 316 . 15 1 1 A 30 30 GLU N N 30 118.036 118.353 -0.317 1
1 317 . 15 1 1 A 31 31 VAL H H 31 8.961 9.207 -0.246 1
1 318 . 15 1 1 A 31 31 VAL HA H 31 3.545 3.894 -0.349 1
1 326 . 15 1 1 A 31 31 VAL C C 31 175.369 175.705 -0.336 1
1 327 . 15 1 1 A 31 31 VAL CA C 31 64.571 63.479 1.092 1
1 328 . 15 1 1 A 31 31 VAL CB C 31 31.678 31.391 0.287 1
1 331 . 15 1 1 A 31 31 VAL N N 31 124.010 127.286 -3.276 1
1 332 . 15 1 1 A 32 32 GLU H H 32 9.483 9.112 0.371 1
1 333 . 15 1 1 A 32 32 GLU HA H 32 4.627 4.365 0.262 1
1 338 . 15 1 1 A 32 32 GLU C C 32 175.695 176.094 -0.399 1
1 339 . 15 1 1 A 32 32 GLU CA C 32 56.841 58.184 -1.343 1
1 340 . 15 1 1 A 32 32 GLU CB C 32 30.661 30.724 -0.063 1
1 342 . 15 1 1 A 32 32 GLU N N 32 130.912 129.464 1.448 1
1 343 . 15 1 1 A 33 33 ALA H H 33 7.838 7.565 0.273 1
1 344 . 15 1 1 A 33 33 ALA HA H 33 4.456 4.677 -0.221 1
1 348 . 15 1 1 A 33 33 ALA C C 33 174.956 175.914 -0.958 1
1 349 . 15 1 1 A 33 33 ALA CA C 33 51.777 51.630 0.147 1
1 350 . 15 1 1 A 33 33 ALA CB C 33 22.189 22.870 -0.681 1
1 351 . 15 1 1 A 33 33 ALA N N 33 117.714 119.142 -1.428 1
1 352 . 15 1 1 A 34 34 LEU H H 34 8.954 8.639 0.315 1
1 353 . 15 1 1 A 34 34 LEU HA H 34 4.702 4.553 0.149 1
1 363 . 15 1 1 A 34 34 LEU C C 34 176.325 176.729 -0.404 1
1 364 . 15 1 1 A 34 34 LEU CA C 34 53.559 54.398 -0.839 1
1 365 . 15 1 1 A 34 34 LEU CB C 34 42.381 42.489 -0.108 1
1 369 . 15 1 1 A 34 34 LEU N N 34 122.418 123.000 -0.582 1
1 370 . 15 1 1 A 35 35 HIS H H 35 8.022 8.590 -0.568 1
1 371 . 15 1 1 A 35 35 HIS HA H 35 4.544 4.885 -0.341 1
1 376 . 15 1 1 A 35 35 HIS C C 35 178.300 175.441 2.859 1
1 377 . 15 1 1 A 35 35 HIS CA C 35 57.706 54.858 2.848 1
1 378 . 15 1 1 A 35 35 HIS CB C 35 32.594 31.669 0.925 1
1 381 . 15 1 1 A 35 35 HIS N N 35 123.729 120.816 2.913 1
1 382 . 15 1 1 A 37 37 SER H H 37 10.111 7.756 2.355 1
1 383 . 15 1 1 A 37 37 SER HA H 37 4.339 4.228 0.111 1
1 386 . 15 1 1 A 37 37 SER C C 37 176.434 174.783 1.651 1
1 387 . 15 1 1 A 37 37 SER CA C 37 59.895 61.144 -1.249 1
1 388 . 15 1 1 A 37 37 SER CB C 37 63.665 63.615 0.050 1
1 389 . 15 1 1 A 37 37 SER N N 37 119.788 115.348 4.440 1
1 390 . 15 1 1 A 38 38 GLY H H 38 8.136 8.147 -0.011 1
1 391 . 15 1 1 A 38 38 GLY HA2 H 38 4.257 4.113 0.144 1
1 392 . 15 1 1 A 38 38 GLY HA3 H 38 3.981 4.139 -0.158 1
1 393 . 15 1 1 A 38 38 GLY C C 38 174.441 175.026 -0.585 1
1 394 . 15 1 1 A 38 38 GLY CA C 38 46.006 45.585 0.421 1
1 395 . 15 1 1 A 38 38 GLY N N 38 108.557 107.709 0.848 1
1 396 . 15 1 1 A 39 39 MET H H 39 8.180 8.329 -0.149 1
1 397 . 15 1 1 A 39 39 MET HA H 39 4.789 4.668 0.121 1
1 405 . 15 1 1 A 39 39 MET C C 39 177.404 175.685 1.719 1
1 406 . 15 1 1 A 39 39 MET CA C 39 55.889 55.821 0.068 1
1 407 . 15 1 1 A 39 39 MET CB C 39 34.033 33.919 0.114 1
1 410 . 15 1 1 A 39 39 MET N N 39 113.829 118.176 -4.347 1
1 411 . 15 1 1 A 40 40 THR H H 40 7.174 8.108 -0.934 1
1 412 . 15 1 1 A 40 40 THR HA H 40 5.182 5.076 0.106 1
1 417 . 15 1 1 A 40 40 THR C C 40 172.981 173.339 -0.358 1
1 418 . 15 1 1 A 40 40 THR CA C 40 59.559 60.027 -0.468 1
1 419 . 15 1 1 A 40 40 THR CB C 40 73.120 72.465 0.655 1
1 421 . 15 1 1 A 40 40 THR N N 40 108.160 109.905 -1.745 1
1 422 . 15 1 1 A 41 41 ALA H H 41 9.245 8.231 1.014 1
1 423 . 15 1 1 A 41 41 ALA HA H 41 4.932 4.883 0.049 1
1 427 . 15 1 1 A 41 41 ALA C C 41 175.635 176.037 -0.402 1
1 428 . 15 1 1 A 41 41 ALA CA C 41 50.417 51.510 -1.093 1
1 429 . 15 1 1 A 41 41 ALA CB C 41 22.600 23.041 -0.441 1
1 430 . 15 1 1 A 41 41 ALA N N 41 122.138 121.648 0.490 1
1 431 . 15 1 1 A 42 42 VAL H H 42 8.773 8.622 0.151 1
1 432 . 15 1 1 A 42 42 VAL HA H 42 4.789 4.262 0.527 1
1 440 . 15 1 1 A 42 42 VAL C C 42 176.410 175.685 0.725 1
1 441 . 15 1 1 A 42 42 VAL CA C 42 62.083 62.920 -0.837 1
1 442 . 15 1 1 A 42 42 VAL CB C 42 32.776 31.314 1.462 1
1 445 . 15 1 1 A 42 42 VAL N N 42 120.320 121.777 -1.457 1
1 446 . 15 1 1 A 43 43 VAL H H 43 9.224 8.580 0.644 1
1 447 . 15 1 1 A 43 43 VAL HA H 43 5.013 4.904 0.109 1
1 455 . 15 1 1 A 43 43 VAL C C 43 172.532 173.879 -1.347 1
1 456 . 15 1 1 A 43 43 VAL CA C 43 57.812 59.201 -1.389 1
1 457 . 15 1 1 A 43 43 VAL CB C 43 34.280 34.533 -0.253 1
1 460 . 15 1 1 A 43 43 VAL N N 43 121.151 121.978 -0.827 1
1 461 . 15 1 1 A 44 44 LYS H H 44 8.645 8.572 0.073 1
1 462 . 15 1 1 A 44 44 LYS HA H 44 4.627 4.704 -0.077 1
1 471 . 15 1 1 A 44 44 LYS C C 44 177.419 176.343 1.076 1
1 472 . 15 1 1 A 44 44 LYS CA C 44 53.612 54.690 -1.078 1
1 473 . 15 1 1 A 44 44 LYS CB C 44 35.143 34.568 0.575 1
1 477 . 15 1 1 A 44 44 LYS N N 44 121.425 124.587 -3.162 1
1 478 . 15 1 1 A 45 45 PHE H H 45 8.823 8.927 -0.104 1
1 479 . 15 1 1 A 45 45 PHE HA H 45 4.505 4.701 -0.196 1
1 487 . 15 1 1 A 45 45 PHE C C 45 177.585 175.486 2.099 1
1 488 . 15 1 1 A 45 45 PHE CA C 45 59.841 58.118 1.723 1
1 489 . 15 1 1 A 45 45 PHE CB C 45 38.598 39.969 -1.371 1
1 495 . 15 1 1 A 45 45 PHE N N 45 128.232 125.284 2.948 1
1 496 . 15 1 1 A 46 46 THR H H 46 8.281 8.520 -0.239 1
1 497 . 15 1 1 A 46 46 THR HA H 46 3.738 4.366 -0.628 1
1 502 . 15 1 1 A 46 46 THR C C 46 176.410 175.815 0.595 1
1 503 . 15 1 1 A 46 46 THR CA C 46 65.930 64.068 1.862 1
1 504 . 15 1 1 A 46 46 THR CB C 46 68.743 69.401 -0.658 1
1 506 . 15 1 1 A 46 46 THR N N 46 120.729 116.673 4.056 1
1 507 . 15 1 1 A 47 47 ASP H H 47 9.166 8.314 0.852 1
1 508 . 15 1 1 A 47 47 ASP HA H 47 4.300 4.037 0.263 1
1 511 . 15 1 1 A 47 47 ASP C C 47 176.844 177.179 -0.335 1
1 512 . 15 1 1 A 47 47 ASP CA C 47 57.283 57.335 -0.052 1
1 513 . 15 1 1 A 47 47 ASP CB C 47 40.037 40.150 -0.113 1
1 514 . 15 1 1 A 47 47 ASP N N 47 120.635 121.071 -0.436 1
1 515 . 15 1 1 A 48 48 TYR H H 48 7.676 7.634 0.042 1
1 516 . 15 1 1 A 48 48 TYR HA H 48 4.605 4.630 -0.025 1
1 523 . 15 1 1 A 48 48 TYR C C 48 177.343 176.055 1.288 1
1 524 . 15 1 1 A 48 48 TYR CA C 48 57.777 58.797 -1.020 1
1 525 . 15 1 1 A 48 48 TYR CB C 48 39.914 40.757 -0.843 1
1 530 . 15 1 1 A 48 48 TYR N N 48 114.763 113.405 1.358 1
1 531 . 15 1 1 A 49 49 GLY H H 49 8.065 8.229 -0.164 1
1 532 . 15 1 1 A 49 49 GLY HA2 H 49 4.023 4.034 -0.011 1
1 533 . 15 1 1 A 49 49 GLY HA3 H 49 3.571 4.039 -0.468 1
1 534 . 15 1 1 A 49 49 GLY C C 49 172.707 174.180 -1.473 1
1 535 . 15 1 1 A 49 49 GLY CA C 49 46.165 45.248 0.917 1
1 536 . 15 1 1 A 49 49 GLY N N 49 107.679 106.836 0.843 1
1 537 . 15 1 1 A 50 50 ASN H H 50 8.836 8.092 0.744 1
1 538 . 15 1 1 A 50 50 ASN HA H 50 4.777 5.178 -0.401 1
1 543 . 15 1 1 A 50 50 ASN C C 50 173.696 174.007 -0.311 1
1 544 . 15 1 1 A 50 50 ASN CA C 50 52.747 51.419 1.328 1
1 545 . 15 1 1 A 50 50 ASN CB C 50 37.710 41.057 -3.347 1
1 546 . 15 1 1 A 50 50 ASN N N 50 114.795 116.222 -1.427 1
1 548 . 15 1 1 A 51 51 TYR H H 51 8.726 8.620 0.106 1
1 549 . 15 1 1 A 51 51 TYR HA H 51 5.696 5.018 0.678 1
1 556 . 15 1 1 A 51 51 TYR C C 51 176.871 175.627 1.244 1
1 557 . 15 1 1 A 51 51 TYR CA C 51 56.789 57.996 -1.207 1
1 558 . 15 1 1 A 51 51 TYR CB C 51 40.037 40.386 -0.349 1
1 563 . 15 1 1 A 51 51 TYR N N 51 120.703 121.306 -0.603 1
1 564 . 15 1 1 A 52 52 GLU H H 52 8.995 8.812 0.183 1
1 565 . 15 1 1 A 52 52 GLU HA H 52 4.981 4.956 0.025 1
1 570 . 15 1 1 A 52 52 GLU C C 52 174.629 175.158 -0.529 1
1 571 . 15 1 1 A 52 52 GLU CA C 52 54.070 55.588 -1.518 1
1 572 . 15 1 1 A 52 52 GLU CB C 52 34.814 33.959 0.855 1
1 574 . 15 1 1 A 52 52 GLU N N 52 118.929 120.475 -1.546 1
1 575 . 15 1 1 A 53 53 GLU H H 53 8.995 8.713 0.282 1
1 576 . 15 1 1 A 53 53 GLU HA H 53 5.175 4.582 0.593 1
1 581 . 15 1 1 A 53 53 GLU C C 53 176.301 175.454 0.847 1
1 582 . 15 1 1 A 53 53 GLU CA C 53 55.500 56.415 -0.915 1
1 583 . 15 1 1 A 53 53 GLU CB C 53 30.537 30.019 0.518 1
1 585 . 15 1 1 A 53 53 GLU N N 53 122.819 125.286 -2.467 1
1 586 . 15 1 1 A 54 54 VAL H H 54 9.375 8.151 1.224 1
1 587 . 15 1 1 A 54 54 VAL HA H 54 4.739 4.676 0.063 1
1 595 . 15 1 1 A 54 54 VAL C C 54 175.017 175.172 -0.155 1
1 596 . 15 1 1 A 54 54 VAL CA C 54 59.647 60.962 -1.315 1
1 597 . 15 1 1 A 54 54 VAL CB C 54 36.171 35.510 0.661 1
1 600 . 15 1 1 A 54 54 VAL N N 54 125.177 126.706 -1.529 1
1 601 . 15 1 1 A 55 55 LEU H H 55 8.744 8.539 0.205 1
1 602 . 15 1 1 A 55 55 LEU HA H 55 4.500 4.385 0.115 1
1 612 . 15 1 1 A 55 55 LEU C C 55 179.440 178.510 0.930 1
1 613 . 15 1 1 A 55 55 LEU CA C 55 55.495 55.034 0.461 1
1 614 . 15 1 1 A 55 55 LEU CB C 55 42.628 41.947 0.681 1
1 618 . 15 1 1 A 55 55 LEU N N 55 123.920 126.096 -2.176 1
1 619 . 15 1 1 A 56 56 LEU H H 56 8.324 8.598 -0.274 1
1 620 . 15 1 1 A 56 56 LEU HA H 56 3.855 4.069 -0.214 1
1 630 . 15 1 1 A 56 56 LEU C C 56 178.810 178.909 -0.099 1
1 631 . 15 1 1 A 56 56 LEU CA C 56 57.883 57.828 0.055 1
1 632 . 15 1 1 A 56 56 LEU CB C 56 41.330 41.454 -0.124 1
1 636 . 15 1 1 A 56 56 LEU N N 56 123.383 123.095 0.288 1
1 637 . 15 1 1 A 57 57 SER H H 57 7.886 8.236 -0.350 1
1 638 . 15 1 1 A 57 57 SER HA H 57 4.364 4.444 -0.080 1
1 641 . 15 1 1 A 57 57 SER C C 57 174.944 175.343 -0.399 1
1 642 . 15 1 1 A 57 57 SER CA C 57 59.859 60.319 -0.460 1
1 643 . 15 1 1 A 57 57 SER CB C 57 62.509 62.756 -0.247 1
1 644 . 15 1 1 A 57 57 SER N N 57 109.927 114.182 -4.255 1
1 645 . 15 1 1 A 58 58 ASN H H 58 8.085 8.337 -0.252 1
1 646 . 15 1 1 A 58 58 ASN HA H 58 5.275 5.108 0.167 1
1 651 . 15 1 1 A 58 58 ASN C C 58 172.402 173.706 -1.304 1
1 652 . 15 1 1 A 58 58 ASN CA C 58 52.535 53.211 -0.676 1
1 653 . 15 1 1 A 58 58 ASN CB C 58 39.585 39.294 0.291 1
1 654 . 15 1 1 A 58 58 ASN N N 58 120.812 117.178 3.634 1
1 656 . 15 1 1 A 59 59 ILE H H 59 7.291 7.380 -0.089 1
1 657 . 15 1 1 A 59 59 ILE HA H 59 5.125 5.333 -0.208 1
1 667 . 15 1 1 A 59 59 ILE C C 59 174.980 175.092 -0.112 1
1 668 . 15 1 1 A 59 59 ILE CA C 59 60.659 59.716 0.943 1
1 669 . 15 1 1 A 59 59 ILE CB C 59 39.996 41.519 -1.523 1
1 673 . 15 1 1 A 59 59 ILE N N 59 115.444 121.188 -5.744 1
1 674 . 15 1 1 A 60 60 LYS H H 60 9.366 8.861 0.505 1
1 675 . 15 1 1 A 60 60 LYS HA H 60 5.300 4.998 0.302 1
1 684 . 15 1 1 A 60 60 LYS C C 60 173.381 174.320 -0.939 1
1 685 . 15 1 1 A 60 60 LYS CA C 60 52.977 52.972 0.005 1
1 686 . 15 1 1 A 60 60 LYS CB C 60 34.814 34.526 0.288 1
1 690 . 15 1 1 A 60 60 LYS N N 60 122.819 125.962 -3.143 1
1 691 . 15 1 1 A 61 61 PRO HA H 61 5.027 5.017 0.010 1
1 698 . 15 1 1 A 61 61 PRO C C 61 176.256 176.715 -0.459 1
1 699 . 15 1 1 A 61 61 PRO CA C 61 62.754 62.733 0.021 1
1 700 . 15 1 1 A 61 61 PRO CB C 61 32.594 32.569 0.025 1
1 703 . 15 1 1 A 62 62 VAL H H 62 8.525 8.596 -0.071 1
1 704 . 15 1 1 A 62 62 VAL HA H 62 3.969 4.437 -0.468 1
1 712 . 15 1 1 A 62 62 VAL C C 62 176.192 175.770 0.422 1
1 713 . 15 1 1 A 62 62 VAL CA C 62 62.895 61.701 1.194 1
1 714 . 15 1 1 A 62 62 VAL CB C 62 32.059 33.197 -1.138 1
1 717 . 15 1 1 A 62 62 VAL N N 62 117.807 123.174 -5.367 1
1 718 . 15 1 1 A 63 63 GLN H H 63 7.815 8.440 -0.625 1
1 719 . 15 1 1 A 63 63 GLN HA H 63 4.415 4.350 0.065 1
1 726 . 15 1 1 A 63 63 GLN C C 63 175.716 175.792 -0.076 1
1 727 . 15 1 1 A 63 63 GLN CA C 63 55.535 56.989 -1.454 1
1 728 . 15 1 1 A 63 63 GLN CB C 63 29.468 29.463 0.005 1
1 730 . 15 1 1 A 63 63 GLN N N 63 122.188 125.748 -3.560 1
1 732 . 15 1 1 A 64 64 THR H H 64 8.185 8.557 -0.372 1
1 733 . 15 1 1 A 64 64 THR HA H 64 4.154 5.108 -0.954 1
1 738 . 15 1 1 A 64 64 THR C C 64 174.616 174.444 0.172 1
1 739 . 15 1 1 A 64 64 THR CA C 64 62.277 59.318 2.959 1
1 740 . 15 1 1 A 64 64 THR CB C 64 69.565 71.678 -2.113 1
1 742 . 15 1 1 A 64 64 THR N N 64 116.169 115.162 1.007 1
1 743 . 15 1 1 A 65 65 GLU H H 65 8.460 8.795 -0.335 1
1 744 . 15 1 1 A 65 65 GLU HA H 65 4.174 4.171 0.003 1
1 749 . 15 1 1 A 65 65 GLU C C 65 176.216 177.002 -0.786 1
1 750 . 15 1 1 A 65 65 GLU CA C 65 56.647 56.614 0.033 1
1 751 . 15 1 1 A 65 65 GLU CB C 65 30.044 30.543 -0.499 1
1 753 . 15 1 1 A 65 65 GLU N N 65 123.014 122.144 0.870 1
1 754 . 15 1 1 A 66 66 ALA H H 66 8.245 8.882 -0.637 1
1 755 . 15 1 1 A 66 66 ALA HA H 66 4.205 3.835 0.370 1
1 759 . 15 1 1 A 66 66 ALA C C 66 177.258 176.830 0.428 1
1 760 . 15 1 1 A 66 66 ALA CA C 66 52.730 53.162 -0.432 1
1 761 . 15 1 1 A 66 66 ALA CB C 66 19.064 17.356 1.708 1
1 762 . 15 1 1 A 66 66 ALA N N 66 124.251 121.153 3.098 1
1 763 . 15 1 1 A 67 67 TRP H H 67 7.875 7.988 -0.113 1
1 764 . 15 1 1 A 67 67 TRP HA H 67 4.609 4.560 0.049 1
1 772 . 15 1 1 A 67 67 TRP C C 67 175.889 175.508 0.381 1
1 773 . 15 1 1 A 67 67 TRP CA C 67 57.106 57.359 -0.253 1
1 774 . 15 1 1 A 67 67 TRP CB C 67 29.427 30.086 -0.659 1
1 779 . 15 1 1 A 67 67 TRP N N 67 119.568 116.937 2.631 1
1 781 . 15 1 1 A 68 68 VAL H H 68 7.815 8.743 -0.928 1
1 782 . 15 1 1 A 68 68 VAL HA H 68 3.917 4.559 -0.642 1
1 790 . 15 1 1 A 68 68 VAL C C 68 175.368 175.398 -0.030 1
1 791 . 15 1 1 A 68 68 VAL CA C 68 62.189 60.290 1.899 1
1 792 . 15 1 1 A 68 68 VAL CB C 68 32.981 35.169 -2.188 1
1 795 . 15 1 1 A 68 68 VAL N N 68 122.485 120.577 1.908 1
1 796 . 15 1 1 A 69 69 ARG H H 69 8.084 8.809 -0.725 1
1 797 . 15 1 1 A 69 69 ARG HA H 69 4.107 4.296 -0.189 1
1 804 . 15 1 1 A 69 69 ARG C C 69 175.465 176.004 -0.539 1
1 805 . 15 1 1 A 69 69 ARG CA C 69 55.841 58.217 -2.376 1
1 806 . 15 1 1 A 69 69 ARG CB C 69 30.949 30.843 0.106 1
1 809 . 15 1 1 A 69 69 ARG N N 69 124.540 125.640 -1.100 1
1 810 . 15 1 1 A 70 70 ASP H H 70 8.365 7.756 0.609 1
1 811 . 15 1 1 A 70 70 ASP HA H 70 4.780 4.922 -0.142 1
1 814 . 15 1 1 A 70 70 ASP C C 70 175.319 175.801 -0.482 1
1 815 . 15 1 1 A 70 70 ASP CA C 70 51.882 52.334 -0.452 1
1 816 . 15 1 1 A 70 70 ASP CB C 70 41.312 43.407 -2.095 1
1 817 . 15 1 1 A 70 70 ASP N N 70 123.498 115.234 8.264 1
1 818 . 15 1 1 A 71 71 PRO HA H 71 4.355 4.418 -0.063 1
1 825 . 15 1 1 A 71 71 PRO C C 71 177.091 175.631 1.460 1
1 826 . 15 1 1 A 71 71 PRO CA C 71 63.777 64.227 -0.450 1
1 827 . 15 1 1 A 71 71 PRO CB C 71 32.118 32.274 -0.156 1
1 830 . 15 1 1 A 72 72 ASN H H 72 8.521 7.332 1.189 1
1 831 . 15 1 1 A 72 72 ASN HA H 72 4.764 5.193 -0.429 1
1 836 . 15 1 1 A 72 72 ASN C C 72 175.312 173.960 1.352 1
1 837 . 15 1 1 A 72 72 ASN CA C 72 53.471 51.742 1.729 1
1 838 . 15 1 1 A 72 72 ASN CB C 72 38.869 41.524 -2.655 1
1 839 . 15 1 1 A 72 72 ASN N N 72 117.256 110.721 6.535 1
1 841 . 15 1 1 A 73 73 SER H H 73 7.937 8.633 -0.696 1
1 842 . 15 1 1 A 73 73 SER HA H 73 4.429 4.760 -0.331 1
1 845 . 15 1 1 A 73 73 SER C C 73 174.532 174.408 0.124 1
1 846 . 15 1 1 A 73 73 SER CA C 73 58.642 57.818 0.824 1
1 847 . 15 1 1 A 73 73 SER CB C 73 64.137 63.451 0.686 1
1 848 . 15 1 1 A 73 73 SER N N 73 115.503 117.470 -1.967 1
1 849 . 15 1 1 A 74 74 GLY H H 74 8.206 8.695 -0.489 1
1 850 . 15 1 1 A 74 74 GLY HA2 H 74 4.071 4.387 -0.316 1
1 851 . 15 1 1 A 74 74 GLY HA3 H 74 4.123 4.387 -0.264 1
1 852 . 15 1 1 A 74 74 GLY C C 74 171.781 171.546 0.235 1
1 853 . 15 1 1 A 74 74 GLY CA C 74 44.682 44.390 0.292 1
1 854 . 15 1 1 A 74 74 GLY N N 74 110.659 113.885 -3.226 1
1 855 . 15 1 1 A 75 75 PRO HA H 75 4.446 4.708 -0.262 1
1 862 . 15 1 1 A 75 75 PRO C C 75 177.407 175.892 1.515 1
1 863 . 15 1 1 A 75 75 PRO CA C 75 63.212 62.878 0.334 1
1 864 . 15 1 1 A 75 75 PRO CB C 75 32.182 33.320 -1.138 1
1 867 . 15 1 1 A 76 76 SER H H 76 8.504 8.420 0.084 1
1 868 . 15 1 1 A 76 76 SER HA H 76 4.489 4.967 -0.478 1
1 871 . 15 1 1 A 76 76 SER C C 76 174.677 172.121 2.556 1
1 872 . 15 1 1 A 76 76 SER CA C 76 58.359 57.311 1.048 1
1 873 . 15 1 1 A 76 76 SER CB C 76 64.013 66.375 -2.362 1
1 874 . 15 1 1 A 76 76 SER N N 76 116.388 113.690 2.698 1
1 875 . 15 1 1 A 77 77 SER H H 77 8.312 8.737 -0.425 1
1 876 . 15 1 1 A 77 77 SER C C 77 173.914 174.136 -0.222 1
1 877 . 15 1 1 A 77 77 SER CA C 77 58.342 56.185 2.157 1
1 878 . 15 1 1 A 77 77 SER CB C 77 64.013 66.239 -2.226 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.892 3.991 -0.099 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.892 3.993 -0.101 1
1 3 . 16 1 1 A 7 7 GLY C C 7 173.405 173.442 -0.037 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.070 44.993 0.077 1
1 5 . 16 1 1 A 8 8 LYS H H 8 7.913 8.046 -0.133 1
1 6 . 16 1 1 A 8 8 LYS HA H 8 4.031 4.157 -0.126 1
1 15 . 16 1 1 A 8 8 LYS C C 8 175.501 175.389 0.112 1
1 16 . 16 1 1 A 8 8 LYS CA C 8 55.765 56.321 -0.556 1
1 17 . 16 1 1 A 8 8 LYS CB C 8 33.046 32.492 0.554 1
1 21 . 16 1 1 A 8 8 LYS N N 8 121.849 124.219 -2.370 1
1 22 . 16 1 1 A 9 9 VAL H H 9 8.175 8.598 -0.423 1
1 23 . 16 1 1 A 9 9 VAL HA H 9 4.082 4.420 -0.338 1
1 31 . 16 1 1 A 9 9 VAL C C 9 175.680 175.298 0.382 1
1 32 . 16 1 1 A 9 9 VAL CA C 9 61.571 61.090 0.481 1
1 33 . 16 1 1 A 9 9 VAL CB C 9 32.224 33.289 -1.065 1
1 36 . 16 1 1 A 9 9 VAL N N 9 125.536 127.218 -1.682 1
1 37 . 16 1 1 A 10 10 TRP H H 10 8.125 8.939 -0.814 1
1 38 . 16 1 1 A 10 10 TRP HA H 10 4.667 5.089 -0.422 1
1 47 . 16 1 1 A 10 10 TRP C C 10 174.859 175.997 -1.138 1
1 48 . 16 1 1 A 10 10 TRP CA C 10 57.088 57.074 0.014 1
1 49 . 16 1 1 A 10 10 TRP CB C 10 31.730 31.296 0.434 1
1 55 . 16 1 1 A 10 10 TRP N N 10 127.817 129.329 -1.512 1
1 57 . 16 1 1 A 11 11 LYS H H 11 9.090 9.323 -0.233 1
1 58 . 16 1 1 A 11 11 LYS HA H 11 4.856 4.982 -0.126 1
1 67 . 16 1 1 A 11 11 LYS C C 11 172.968 173.459 -0.491 1
1 68 . 16 1 1 A 11 11 LYS CA C 11 53.330 54.164 -0.834 1
1 69 . 16 1 1 A 11 11 LYS CB C 11 33.827 35.980 -2.153 1
1 73 . 16 1 1 A 11 11 LYS N N 11 120.688 118.399 2.289 1
1 74 . 16 1 1 A 12 12 PRO HA H 12 3.894 4.347 -0.453 1
1 81 . 16 1 1 A 12 12 PRO C C 12 177.287 177.621 -0.334 1
1 82 . 16 1 1 A 12 12 PRO CA C 12 63.812 63.677 0.135 1
1 83 . 16 1 1 A 12 12 PRO CB C 12 31.278 31.206 0.072 1
1 86 . 16 1 1 A 13 13 GLY H H 13 9.494 8.838 0.656 1
1 87 . 16 1 1 A 13 13 GLY HA2 H 13 4.431 4.072 0.359 1
1 88 . 16 1 1 A 13 13 GLY HA3 H 13 3.746 4.075 -0.329 1
1 89 . 16 1 1 A 13 13 GLY C C 13 174.798 173.595 1.203 1
1 90 . 16 1 1 A 13 13 GLY CA C 13 44.559 45.381 -0.822 1
1 91 . 16 1 1 A 13 13 GLY N N 13 114.764 112.836 1.928 1
1 92 . 16 1 1 A 14 14 ASP H H 14 8.005 7.957 0.048 1
1 93 . 16 1 1 A 14 14 ASP HA H 14 4.665 4.917 -0.252 1
1 96 . 16 1 1 A 14 14 ASP C C 14 176.143 175.782 0.361 1
1 97 . 16 1 1 A 14 14 ASP CA C 14 55.553 53.499 2.054 1
1 98 . 16 1 1 A 14 14 ASP CB C 14 41.600 43.684 -2.084 1
1 99 . 16 1 1 A 14 14 ASP N N 14 121.257 119.815 1.442 1
1 100 . 16 1 1 A 15 15 GLU H H 15 8.645 8.747 -0.102 1
1 101 . 16 1 1 A 15 15 GLU HA H 15 4.852 4.324 0.528 1
1 106 . 16 1 1 A 15 15 GLU C C 15 175.679 176.572 -0.893 1
1 107 . 16 1 1 A 15 15 GLU CA C 15 55.783 56.821 -1.038 1
1 108 . 16 1 1 A 15 15 GLU CB C 15 31.295 29.844 1.451 1
1 110 . 16 1 1 A 15 15 GLU N N 15 121.409 125.006 -3.597 1
1 111 . 16 1 1 A 16 16 CYS H H 16 8.735 9.011 -0.276 1
1 112 . 16 1 1 A 16 16 CYS HA H 16 5.086 5.003 0.083 1
1 115 . 16 1 1 A 16 16 CYS C C 16 172.636 172.847 -0.211 1
1 116 . 16 1 1 A 16 16 CYS CA C 16 56.418 56.278 0.140 1
1 117 . 16 1 1 A 16 16 CYS CB C 16 32.553 31.898 0.655 1
1 118 . 16 1 1 A 16 16 CYS N N 16 116.207 121.357 -5.150 1
1 119 . 16 1 1 A 17 17 PHE H H 17 9.125 8.954 0.171 1
1 120 . 16 1 1 A 17 17 PHE HA H 17 5.235 5.552 -0.317 1
1 128 . 16 1 1 A 17 17 PHE C C 17 174.823 175.179 -0.356 1
1 129 . 16 1 1 A 17 17 PHE CA C 17 57.547 56.906 0.641 1
1 130 . 16 1 1 A 17 17 PHE CB C 17 42.053 40.995 1.058 1
1 136 . 16 1 1 A 17 17 PHE N N 17 116.836 119.208 -2.372 1
1 137 . 16 1 1 A 18 18 ALA H H 18 9.373 9.376 -0.003 1
1 138 . 16 1 1 A 18 18 ALA HA H 18 5.552 5.440 0.112 1
1 142 . 16 1 1 A 18 18 ALA C C 18 175.841 176.031 -0.190 1
1 143 . 16 1 1 A 18 18 ALA CA C 18 50.147 50.112 0.035 1
1 144 . 16 1 1 A 18 18 ALA CB C 18 23.798 21.709 2.089 1
1 145 . 16 1 1 A 18 18 ALA N N 18 122.751 126.876 -4.125 1
1 146 . 16 1 1 A 19 19 LEU H H 19 7.487 8.840 -1.353 1
1 147 . 16 1 1 A 19 19 LEU HA H 19 3.514 4.916 -1.402 1
1 157 . 16 1 1 A 19 19 LEU C C 19 175.598 176.292 -0.694 1
1 158 . 16 1 1 A 19 19 LEU CA C 19 55.165 54.044 1.121 1
1 159 . 16 1 1 A 19 19 LEU CB C 19 43.656 42.659 0.997 1
1 163 . 16 1 1 A 19 19 LEU N N 19 123.529 125.090 -1.561 1
1 164 . 16 1 1 A 20 20 TYR H H 20 9.405 8.675 0.730 1
1 165 . 16 1 1 A 20 20 TYR HA H 20 4.939 4.647 0.292 1
1 172 . 16 1 1 A 20 20 TYR C C 20 176.593 177.132 -0.539 1
1 173 . 16 1 1 A 20 20 TYR CA C 20 55.201 59.554 -4.353 1
1 174 . 16 1 1 A 20 20 TYR CB C 20 37.899 39.085 -1.186 1
1 179 . 16 1 1 A 20 20 TYR N N 20 132.207 127.036 5.171 1
1 180 . 16 1 1 A 21 21 TRP H H 21 8.475 8.188 0.287 1
1 181 . 16 1 1 A 21 21 TRP HA H 21 4.087 4.537 -0.450 1
1 190 . 16 1 1 A 21 21 TRP C C 21 177.283 176.516 0.767 1
1 191 . 16 1 1 A 21 21 TRP CA C 21 58.695 58.266 0.429 1
1 192 . 16 1 1 A 21 21 TRP CB C 21 28.111 29.447 -1.336 1
1 198 . 16 1 1 A 21 21 TRP N N 21 128.228 126.737 1.491 1
1 200 . 16 1 1 A 22 22 GLU H H 22 4.195 7.260 -3.065 1
1 201 . 16 1 1 A 22 22 GLU HA H 22 2.895 4.215 -1.320 1
1 206 . 16 1 1 A 22 22 GLU C C 22 176.342 176.310 0.032 1
1 207 . 16 1 1 A 22 22 GLU CA C 22 59.753 56.740 3.013 1
1 208 . 16 1 1 A 22 22 GLU CB C 22 29.468 30.842 -1.374 1
1 210 . 16 1 1 A 22 22 GLU N N 22 117.591 118.861 -1.270 1
1 211 . 16 1 1 A 23 23 ASP H H 23 6.695 8.047 -1.352 1
1 212 . 16 1 1 A 23 23 ASP HA H 23 4.554 4.768 -0.214 1
1 215 . 16 1 1 A 23 23 ASP C C 23 176.047 175.825 0.222 1
1 216 . 16 1 1 A 23 23 ASP CA C 23 51.970 54.008 -2.038 1
1 217 . 16 1 1 A 23 23 ASP CB C 23 41.353 42.252 -0.899 1
1 218 . 16 1 1 A 23 23 ASP N N 23 112.180 117.228 -5.048 1
1 219 . 16 1 1 A 24 24 ASN H H 24 8.248 8.042 0.206 1
1 220 . 16 1 1 A 24 24 ASN HA H 24 4.055 4.588 -0.533 1
1 225 . 16 1 1 A 24 24 ASN C C 24 173.702 173.636 0.066 1
1 226 . 16 1 1 A 24 24 ASN CA C 24 54.794 54.422 0.372 1
1 227 . 16 1 1 A 24 24 ASN CB C 24 37.940 36.626 1.314 1
1 228 . 16 1 1 A 24 24 ASN N N 24 116.693 116.010 0.683 1
1 230 . 16 1 1 A 25 25 LYS H H 25 7.604 7.498 0.106 1
1 231 . 16 1 1 A 25 25 LYS HA H 25 4.502 4.484 0.018 1
1 240 . 16 1 1 A 25 25 LYS C C 25 174.726 175.277 -0.551 1
1 241 . 16 1 1 A 25 25 LYS CA C 25 54.565 54.238 0.327 1
1 242 . 16 1 1 A 25 25 LYS CB C 25 35.143 34.455 0.688 1
1 246 . 16 1 1 A 25 25 LYS N N 25 116.646 117.286 -0.640 1
1 247 . 16 1 1 A 26 26 PHE H H 26 8.361 8.284 0.077 1
1 248 . 16 1 1 A 26 26 PHE HA H 26 5.005 4.571 0.434 1
1 256 . 16 1 1 A 26 26 PHE C C 26 176.228 175.754 0.474 1
1 257 . 16 1 1 A 26 26 PHE CA C 26 58.236 58.708 -0.472 1
1 258 . 16 1 1 A 26 26 PHE CB C 26 41.148 39.001 2.147 1
1 264 . 16 1 1 A 26 26 PHE N N 26 118.446 120.962 -2.516 1
1 265 . 16 1 1 A 27 27 TYR H H 27 8.851 9.157 -0.306 1
1 266 . 16 1 1 A 27 27 TYR HA H 27 5.045 5.151 -0.106 1
1 273 . 16 1 1 A 27 27 TYR C C 27 175.380 175.389 -0.009 1
1 274 . 16 1 1 A 27 27 TYR CA C 27 56.594 56.672 -0.078 1
1 275 . 16 1 1 A 27 27 TYR CB C 27 43.856 41.649 2.207 1
1 280 . 16 1 1 A 27 27 TYR N N 27 118.823 123.473 -4.650 1
1 281 . 16 1 1 A 28 28 ARG H H 28 9.026 8.901 0.125 1
1 282 . 16 1 1 A 28 28 ARG HA H 28 4.202 3.800 0.402 1
1 290 . 16 1 1 A 28 28 ARG C C 28 175.789 175.749 0.040 1
1 291 . 16 1 1 A 28 28 ARG CA C 28 57.142 57.213 -0.071 1
1 292 . 16 1 1 A 28 28 ARG CB C 28 30.291 31.123 -0.832 1
1 295 . 16 1 1 A 28 28 ARG N N 28 122.262 124.466 -2.204 1
1 297 . 16 1 1 A 29 29 ALA H H 29 9.157 8.577 0.580 1
1 298 . 16 1 1 A 29 29 ALA HA H 29 5.098 5.002 0.096 1
1 302 . 16 1 1 A 29 29 ALA C C 29 175.247 174.921 0.326 1
1 303 . 16 1 1 A 29 29 ALA CA C 29 51.188 51.223 -0.035 1
1 304 . 16 1 1 A 29 29 ALA CB C 29 23.153 23.169 -0.016 1
1 305 . 16 1 1 A 29 29 ALA N N 29 126.768 127.214 -0.446 1
1 306 . 16 1 1 A 30 30 GLU H H 30 8.167 9.050 -0.883 1
1 307 . 16 1 1 A 30 30 GLU HA H 30 5.085 4.699 0.386 1
1 312 . 16 1 1 A 30 30 GLU C C 30 176.265 174.849 1.416 1
1 313 . 16 1 1 A 30 30 GLU CA C 30 53.948 55.235 -1.287 1
1 314 . 16 1 1 A 30 30 GLU CB C 30 33.622 33.666 -0.044 1
1 316 . 16 1 1 A 30 30 GLU N N 30 118.036 118.430 -0.394 1
1 317 . 16 1 1 A 31 31 VAL H H 31 8.961 8.723 0.238 1
1 318 . 16 1 1 A 31 31 VAL HA H 31 3.545 3.934 -0.389 1
1 326 . 16 1 1 A 31 31 VAL C C 31 175.369 175.775 -0.406 1
1 327 . 16 1 1 A 31 31 VAL CA C 31 64.571 63.532 1.039 1
1 328 . 16 1 1 A 31 31 VAL CB C 31 31.678 31.334 0.344 1
1 331 . 16 1 1 A 31 31 VAL N N 31 124.010 127.309 -3.299 1
1 332 . 16 1 1 A 32 32 GLU H H 32 9.483 9.169 0.314 1
1 333 . 16 1 1 A 32 32 GLU HA H 32 4.627 4.362 0.265 1
1 338 . 16 1 1 A 32 32 GLU C C 32 175.695 176.211 -0.516 1
1 339 . 16 1 1 A 32 32 GLU CA C 32 56.841 58.182 -1.341 1
1 340 . 16 1 1 A 32 32 GLU CB C 32 30.661 30.703 -0.042 1
1 342 . 16 1 1 A 32 32 GLU N N 32 130.912 129.540 1.372 1
1 343 . 16 1 1 A 33 33 ALA H H 33 7.838 7.468 0.370 1
1 344 . 16 1 1 A 33 33 ALA HA H 33 4.456 4.745 -0.289 1
1 348 . 16 1 1 A 33 33 ALA C C 33 174.956 175.994 -1.038 1
1 349 . 16 1 1 A 33 33 ALA CA C 33 51.777 51.607 0.170 1
1 350 . 16 1 1 A 33 33 ALA CB C 33 22.189 22.693 -0.504 1
1 351 . 16 1 1 A 33 33 ALA N N 33 117.714 119.824 -2.110 1
1 352 . 16 1 1 A 34 34 LEU H H 34 8.954 8.786 0.168 1
1 353 . 16 1 1 A 34 34 LEU HA H 34 4.702 4.626 0.076 1
1 363 . 16 1 1 A 34 34 LEU C C 34 176.325 176.801 -0.476 1
1 364 . 16 1 1 A 34 34 LEU CA C 34 53.559 54.177 -0.618 1
1 365 . 16 1 1 A 34 34 LEU CB C 34 42.381 42.685 -0.304 1
1 369 . 16 1 1 A 34 34 LEU N N 34 122.418 122.610 -0.192 1
1 370 . 16 1 1 A 35 35 HIS H H 35 8.022 8.186 -0.164 1
1 371 . 16 1 1 A 35 35 HIS HA H 35 4.544 4.873 -0.329 1
1 376 . 16 1 1 A 35 35 HIS C C 35 178.300 175.733 2.567 1
1 377 . 16 1 1 A 35 35 HIS CA C 35 57.706 56.185 1.521 1
1 378 . 16 1 1 A 35 35 HIS CB C 35 32.594 31.179 1.415 1
1 381 . 16 1 1 A 35 35 HIS N N 35 123.729 121.964 1.765 1
1 382 . 16 1 1 A 37 37 SER H H 37 10.111 7.388 2.723 1
1 383 . 16 1 1 A 37 37 SER HA H 37 4.339 4.149 0.190 1
1 386 . 16 1 1 A 37 37 SER C C 37 176.434 174.867 1.567 1
1 387 . 16 1 1 A 37 37 SER CA C 37 59.895 60.946 -1.051 1
1 388 . 16 1 1 A 37 37 SER CB C 37 63.665 63.490 0.175 1
1 389 . 16 1 1 A 37 37 SER N N 37 119.788 115.280 4.508 1
1 390 . 16 1 1 A 38 38 GLY H H 38 8.136 8.008 0.128 1
1 391 . 16 1 1 A 38 38 GLY HA2 H 38 4.257 4.109 0.148 1
1 392 . 16 1 1 A 38 38 GLY HA3 H 38 3.981 4.137 -0.156 1
1 393 . 16 1 1 A 38 38 GLY C C 38 174.441 174.491 -0.050 1
1 394 . 16 1 1 A 38 38 GLY CA C 38 46.006 45.951 0.055 1
1 395 . 16 1 1 A 38 38 GLY N N 38 108.557 107.775 0.782 1
1 396 . 16 1 1 A 39 39 MET H H 39 8.180 8.177 0.003 1
1 397 . 16 1 1 A 39 39 MET HA H 39 4.789 4.741 0.048 1
1 405 . 16 1 1 A 39 39 MET C C 39 177.404 176.052 1.352 1
1 406 . 16 1 1 A 39 39 MET CA C 39 55.889 56.412 -0.523 1
1 407 . 16 1 1 A 39 39 MET CB C 39 34.033 35.337 -1.304 1
1 410 . 16 1 1 A 39 39 MET N N 39 113.829 116.316 -2.487 1
1 411 . 16 1 1 A 40 40 THR H H 40 7.174 8.169 -0.995 1
1 412 . 16 1 1 A 40 40 THR HA H 40 5.182 5.035 0.147 1
1 417 . 16 1 1 A 40 40 THR C C 40 172.981 173.615 -0.634 1
1 418 . 16 1 1 A 40 40 THR CA C 40 59.559 60.028 -0.469 1
1 419 . 16 1 1 A 40 40 THR CB C 40 73.120 71.477 1.643 1
1 421 . 16 1 1 A 40 40 THR N N 40 108.160 109.825 -1.665 1
1 422 . 16 1 1 A 41 41 ALA H H 41 9.245 8.345 0.900 1
1 423 . 16 1 1 A 41 41 ALA HA H 41 4.932 4.862 0.070 1
1 427 . 16 1 1 A 41 41 ALA C C 41 175.635 176.057 -0.422 1
1 428 . 16 1 1 A 41 41 ALA CA C 41 50.417 51.611 -1.194 1
1 429 . 16 1 1 A 41 41 ALA CB C 41 22.600 22.870 -0.270 1
1 430 . 16 1 1 A 41 41 ALA N N 41 122.138 121.973 0.165 1
1 431 . 16 1 1 A 42 42 VAL H H 42 8.773 8.714 0.059 1
1 432 . 16 1 1 A 42 42 VAL HA H 42 4.789 4.126 0.663 1
1 440 . 16 1 1 A 42 42 VAL C C 42 176.410 175.560 0.850 1
1 441 . 16 1 1 A 42 42 VAL CA C 42 62.083 62.906 -0.823 1
1 442 . 16 1 1 A 42 42 VAL CB C 42 32.776 31.208 1.568 1
1 445 . 16 1 1 A 42 42 VAL N N 42 120.320 121.866 -1.546 1
1 446 . 16 1 1 A 43 43 VAL H H 43 9.224 8.583 0.641 1
1 447 . 16 1 1 A 43 43 VAL HA H 43 5.013 4.898 0.115 1
1 455 . 16 1 1 A 43 43 VAL C C 43 172.532 173.918 -1.386 1
1 456 . 16 1 1 A 43 43 VAL CA C 43 57.812 59.534 -1.722 1
1 457 . 16 1 1 A 43 43 VAL CB C 43 34.280 34.235 0.045 1
1 460 . 16 1 1 A 43 43 VAL N N 43 121.151 121.763 -0.612 1
1 461 . 16 1 1 A 44 44 LYS H H 44 8.645 8.866 -0.221 1
1 462 . 16 1 1 A 44 44 LYS HA H 44 4.627 4.748 -0.121 1
1 471 . 16 1 1 A 44 44 LYS C C 44 177.419 176.208 1.211 1
1 472 . 16 1 1 A 44 44 LYS CA C 44 53.612 54.603 -0.991 1
1 473 . 16 1 1 A 44 44 LYS CB C 44 35.143 34.825 0.318 1
1 477 . 16 1 1 A 44 44 LYS N N 44 121.425 124.407 -2.982 1
1 478 . 16 1 1 A 45 45 PHE H H 45 8.823 8.735 0.088 1
1 479 . 16 1 1 A 45 45 PHE HA H 45 4.505 4.817 -0.312 1
1 487 . 16 1 1 A 45 45 PHE C C 45 177.585 175.476 2.109 1
1 488 . 16 1 1 A 45 45 PHE CA C 45 59.841 58.219 1.622 1
1 489 . 16 1 1 A 45 45 PHE CB C 45 38.598 39.983 -1.385 1
1 495 . 16 1 1 A 45 45 PHE N N 45 128.232 125.271 2.961 1
1 496 . 16 1 1 A 46 46 THR H H 46 8.281 8.659 -0.378 1
1 497 . 16 1 1 A 46 46 THR HA H 46 3.738 4.341 -0.603 1
1 502 . 16 1 1 A 46 46 THR C C 46 176.410 175.500 0.910 1
1 503 . 16 1 1 A 46 46 THR CA C 46 65.930 64.087 1.843 1
1 504 . 16 1 1 A 46 46 THR CB C 46 68.743 69.577 -0.834 1
1 506 . 16 1 1 A 46 46 THR N N 46 120.729 116.537 4.192 1
1 507 . 16 1 1 A 47 47 ASP H H 47 9.166 8.124 1.042 1
1 508 . 16 1 1 A 47 47 ASP HA H 47 4.300 4.058 0.242 1
1 511 . 16 1 1 A 47 47 ASP C C 47 176.844 177.079 -0.235 1
1 512 . 16 1 1 A 47 47 ASP CA C 47 57.283 56.764 0.519 1
1 513 . 16 1 1 A 47 47 ASP CB C 47 40.037 40.327 -0.290 1
1 514 . 16 1 1 A 47 47 ASP N N 47 120.635 120.910 -0.275 1
1 515 . 16 1 1 A 48 48 TYR H H 48 7.676 7.429 0.247 1
1 516 . 16 1 1 A 48 48 TYR HA H 48 4.605 4.642 -0.037 1
1 523 . 16 1 1 A 48 48 TYR C C 48 177.343 176.151 1.192 1
1 524 . 16 1 1 A 48 48 TYR CA C 48 57.777 58.877 -1.100 1
1 525 . 16 1 1 A 48 48 TYR CB C 48 39.914 40.615 -0.701 1
1 530 . 16 1 1 A 48 48 TYR N N 48 114.763 114.275 0.488 1
1 531 . 16 1 1 A 49 49 GLY H H 49 8.065 8.306 -0.241 1
1 532 . 16 1 1 A 49 49 GLY HA2 H 49 4.023 4.034 -0.011 1
1 533 . 16 1 1 A 49 49 GLY HA3 H 49 3.571 4.038 -0.467 1
1 534 . 16 1 1 A 49 49 GLY C C 49 172.707 174.131 -1.424 1
1 535 . 16 1 1 A 49 49 GLY CA C 49 46.165 45.358 0.807 1
1 536 . 16 1 1 A 49 49 GLY N N 49 107.679 106.904 0.775 1
1 537 . 16 1 1 A 50 50 ASN H H 50 8.836 8.100 0.736 1
1 538 . 16 1 1 A 50 50 ASN HA H 50 4.777 5.172 -0.395 1
1 543 . 16 1 1 A 50 50 ASN C C 50 173.696 173.662 0.034 1
1 544 . 16 1 1 A 50 50 ASN CA C 50 52.747 51.425 1.322 1
1 545 . 16 1 1 A 50 50 ASN CB C 50 37.710 41.170 -3.460 1
1 546 . 16 1 1 A 50 50 ASN N N 50 114.795 116.356 -1.561 1
1 548 . 16 1 1 A 51 51 TYR H H 51 8.726 8.591 0.135 1
1 549 . 16 1 1 A 51 51 TYR HA H 51 5.696 4.998 0.698 1
1 556 . 16 1 1 A 51 51 TYR C C 51 176.871 175.536 1.335 1
1 557 . 16 1 1 A 51 51 TYR CA C 51 56.789 58.062 -1.273 1
1 558 . 16 1 1 A 51 51 TYR CB C 51 40.037 40.042 -0.005 1
1 563 . 16 1 1 A 51 51 TYR N N 51 120.703 121.556 -0.853 1
1 564 . 16 1 1 A 52 52 GLU H H 52 8.995 9.081 -0.086 1
1 565 . 16 1 1 A 52 52 GLU HA H 52 4.981 4.939 0.042 1
1 570 . 16 1 1 A 52 52 GLU C C 52 174.629 175.247 -0.618 1
1 571 . 16 1 1 A 52 52 GLU CA C 52 54.070 55.425 -1.355 1
1 572 . 16 1 1 A 52 52 GLU CB C 52 34.814 33.668 1.146 1
1 574 . 16 1 1 A 52 52 GLU N N 52 118.929 121.179 -2.250 1
1 575 . 16 1 1 A 53 53 GLU H H 53 8.995 8.692 0.303 1
1 576 . 16 1 1 A 53 53 GLU HA H 53 5.175 4.538 0.637 1
1 581 . 16 1 1 A 53 53 GLU C C 53 176.301 175.282 1.019 1
1 582 . 16 1 1 A 53 53 GLU CA C 53 55.500 56.462 -0.962 1
1 583 . 16 1 1 A 53 53 GLU CB C 53 30.537 29.782 0.755 1
1 585 . 16 1 1 A 53 53 GLU N N 53 122.819 125.133 -2.314 1
1 586 . 16 1 1 A 54 54 VAL H H 54 9.375 8.183 1.192 1
1 587 . 16 1 1 A 54 54 VAL HA H 54 4.739 4.654 0.085 1
1 595 . 16 1 1 A 54 54 VAL C C 54 175.017 175.188 -0.171 1
1 596 . 16 1 1 A 54 54 VAL CA C 54 59.647 61.017 -1.370 1
1 597 . 16 1 1 A 54 54 VAL CB C 54 36.171 35.307 0.864 1
1 600 . 16 1 1 A 54 54 VAL N N 54 125.177 126.615 -1.438 1
1 601 . 16 1 1 A 55 55 LEU H H 55 8.744 8.530 0.214 1
1 602 . 16 1 1 A 55 55 LEU HA H 55 4.500 4.421 0.079 1
1 612 . 16 1 1 A 55 55 LEU C C 55 179.440 178.166 1.274 1
1 613 . 16 1 1 A 55 55 LEU CA C 55 55.495 55.052 0.443 1
1 614 . 16 1 1 A 55 55 LEU CB C 55 42.628 41.953 0.675 1
1 618 . 16 1 1 A 55 55 LEU N N 55 123.920 126.105 -2.185 1
1 619 . 16 1 1 A 56 56 LEU H H 56 8.324 8.409 -0.085 1
1 620 . 16 1 1 A 56 56 LEU HA H 56 3.855 4.028 -0.173 1
1 630 . 16 1 1 A 56 56 LEU C C 56 178.810 178.905 -0.095 1
1 631 . 16 1 1 A 56 56 LEU CA C 56 57.883 57.744 0.139 1
1 632 . 16 1 1 A 56 56 LEU CB C 56 41.330 41.364 -0.034 1
1 636 . 16 1 1 A 56 56 LEU N N 56 123.383 123.363 0.020 1
1 637 . 16 1 1 A 57 57 SER H H 57 7.886 8.292 -0.406 1
1 638 . 16 1 1 A 57 57 SER HA H 57 4.364 4.419 -0.055 1
1 641 . 16 1 1 A 57 57 SER C C 57 174.944 175.514 -0.570 1
1 642 . 16 1 1 A 57 57 SER CA C 57 59.859 61.170 -1.311 1
1 643 . 16 1 1 A 57 57 SER CB C 57 62.509 62.941 -0.432 1
1 644 . 16 1 1 A 57 57 SER N N 57 109.927 114.183 -4.256 1
1 645 . 16 1 1 A 58 58 ASN H H 58 8.085 8.337 -0.252 1
1 646 . 16 1 1 A 58 58 ASN HA H 58 5.275 5.063 0.212 1
1 651 . 16 1 1 A 58 58 ASN C C 58 172.402 173.761 -1.359 1
1 652 . 16 1 1 A 58 58 ASN CA C 58 52.535 53.197 -0.662 1
1 653 . 16 1 1 A 58 58 ASN CB C 58 39.585 39.162 0.423 1
1 654 . 16 1 1 A 58 58 ASN N N 58 120.812 116.570 4.242 1
1 656 . 16 1 1 A 59 59 ILE H H 59 7.291 7.417 -0.126 1
1 657 . 16 1 1 A 59 59 ILE HA H 59 5.125 5.209 -0.084 1
1 667 . 16 1 1 A 59 59 ILE C C 59 174.980 174.521 0.459 1
1 668 . 16 1 1 A 59 59 ILE CA C 59 60.659 60.150 0.509 1
1 669 . 16 1 1 A 59 59 ILE CB C 59 39.996 41.118 -1.122 1
1 673 . 16 1 1 A 59 59 ILE N N 59 115.444 121.614 -6.170 1
1 674 . 16 1 1 A 60 60 LYS H H 60 9.366 8.883 0.483 1
1 675 . 16 1 1 A 60 60 LYS HA H 60 5.300 4.939 0.361 1
1 684 . 16 1 1 A 60 60 LYS C C 60 173.381 174.536 -1.155 1
1 685 . 16 1 1 A 60 60 LYS CA C 60 52.977 52.680 0.297 1
1 686 . 16 1 1 A 60 60 LYS CB C 60 34.814 33.505 1.309 1
1 690 . 16 1 1 A 60 60 LYS N N 60 122.819 127.331 -4.512 1
1 691 . 16 1 1 A 61 61 PRO HA H 61 5.027 5.126 -0.099 1
1 698 . 16 1 1 A 61 61 PRO C C 61 176.256 176.905 -0.649 1
1 699 . 16 1 1 A 61 61 PRO CA C 61 62.754 63.136 -0.382 1
1 700 . 16 1 1 A 61 61 PRO CB C 61 32.594 31.997 0.597 1
1 703 . 16 1 1 A 62 62 VAL H H 62 8.525 8.128 0.397 1
1 704 . 16 1 1 A 62 62 VAL HA H 62 3.969 4.370 -0.401 1
1 712 . 16 1 1 A 62 62 VAL C C 62 176.192 175.903 0.289 1
1 713 . 16 1 1 A 62 62 VAL CA C 62 62.895 62.000 0.895 1
1 714 . 16 1 1 A 62 62 VAL CB C 62 32.059 32.368 -0.309 1
1 717 . 16 1 1 A 62 62 VAL N N 62 117.807 123.993 -6.186 1
1 718 . 16 1 1 A 63 63 GLN H H 63 7.815 8.441 -0.626 1
1 719 . 16 1 1 A 63 63 GLN HA H 63 4.415 4.393 0.022 1
1 726 . 16 1 1 A 63 63 GLN C C 63 175.716 174.887 0.829 1
1 727 . 16 1 1 A 63 63 GLN CA C 63 55.535 56.309 -0.774 1
1 728 . 16 1 1 A 63 63 GLN CB C 63 29.468 29.601 -0.133 1
1 730 . 16 1 1 A 63 63 GLN N N 63 122.188 125.718 -3.530 1
1 732 . 16 1 1 A 64 64 THR H H 64 8.185 8.481 -0.296 1
1 733 . 16 1 1 A 64 64 THR HA H 64 4.154 5.049 -0.895 1
1 738 . 16 1 1 A 64 64 THR C C 64 174.616 172.711 1.905 1
1 739 . 16 1 1 A 64 64 THR CA C 64 62.277 59.599 2.678 1
1 740 . 16 1 1 A 64 64 THR CB C 64 69.565 71.731 -2.166 1
1 742 . 16 1 1 A 64 64 THR N N 64 116.169 118.360 -2.191 1
1 743 . 16 1 1 A 65 65 GLU H H 65 8.460 8.818 -0.358 1
1 744 . 16 1 1 A 65 65 GLU HA H 65 4.174 4.984 -0.810 1
1 749 . 16 1 1 A 65 65 GLU C C 65 176.216 176.021 0.195 1
1 750 . 16 1 1 A 65 65 GLU CA C 65 56.647 55.488 1.159 1
1 751 . 16 1 1 A 65 65 GLU CB C 65 30.044 30.527 -0.483 1
1 753 . 16 1 1 A 65 65 GLU N N 65 123.014 125.161 -2.147 1
1 754 . 16 1 1 A 66 66 ALA H H 66 8.245 8.781 -0.536 1
1 755 . 16 1 1 A 66 66 ALA HA H 66 4.205 4.703 -0.498 1
1 759 . 16 1 1 A 66 66 ALA C C 66 177.258 176.947 0.311 1
1 760 . 16 1 1 A 66 66 ALA CA C 66 52.730 51.050 1.680 1
1 761 . 16 1 1 A 66 66 ALA CB C 66 19.064 19.026 0.038 1
1 762 . 16 1 1 A 66 66 ALA N N 66 124.251 126.967 -2.716 1
1 763 . 16 1 1 A 67 67 TRP H H 67 7.875 7.817 0.058 1
1 764 . 16 1 1 A 67 67 TRP HA H 67 4.609 4.653 -0.044 1
1 772 . 16 1 1 A 67 67 TRP C C 67 175.889 176.546 -0.657 1
1 773 . 16 1 1 A 67 67 TRP CA C 67 57.106 58.329 -1.223 1
1 774 . 16 1 1 A 67 67 TRP CB C 67 29.427 30.422 -0.995 1
1 779 . 16 1 1 A 67 67 TRP N N 67 119.568 120.872 -1.304 1
1 781 . 16 1 1 A 68 68 VAL H H 68 7.815 8.672 -0.857 1
1 782 . 16 1 1 A 68 68 VAL HA H 68 3.917 4.653 -0.736 1
1 790 . 16 1 1 A 68 68 VAL C C 68 175.368 175.269 0.099 1
1 791 . 16 1 1 A 68 68 VAL CA C 68 62.189 61.563 0.626 1
1 792 . 16 1 1 A 68 68 VAL CB C 68 32.981 32.783 0.198 1
1 795 . 16 1 1 A 68 68 VAL N N 68 122.485 122.924 -0.439 1
1 796 . 16 1 1 A 69 69 ARG H H 69 8.084 8.979 -0.895 1
1 797 . 16 1 1 A 69 69 ARG HA H 69 4.107 5.053 -0.946 1
1 804 . 16 1 1 A 69 69 ARG C C 69 175.465 174.837 0.628 1
1 805 . 16 1 1 A 69 69 ARG CA C 69 55.841 54.310 1.531 1
1 806 . 16 1 1 A 69 69 ARG CB C 69 30.949 33.773 -2.824 1
1 809 . 16 1 1 A 69 69 ARG N N 69 124.540 124.421 0.119 1
1 810 . 16 1 1 A 70 70 ASP H H 70 8.365 8.752 -0.387 1
1 811 . 16 1 1 A 70 70 ASP HA H 70 4.780 4.653 0.127 1
1 814 . 16 1 1 A 70 70 ASP C C 70 175.319 175.571 -0.252 1
1 815 . 16 1 1 A 70 70 ASP CA C 70 51.882 52.832 -0.950 1
1 816 . 16 1 1 A 70 70 ASP CB C 70 41.312 40.076 1.236 1
1 817 . 16 1 1 A 70 70 ASP N N 70 123.498 119.868 3.630 1
1 818 . 16 1 1 A 71 71 PRO HA H 71 4.355 4.650 -0.295 1
1 825 . 16 1 1 A 71 71 PRO C C 71 177.091 177.152 -0.061 1
1 826 . 16 1 1 A 71 71 PRO CA C 71 63.777 62.679 1.098 1
1 827 . 16 1 1 A 71 71 PRO CB C 71 32.118 31.606 0.512 1
1 830 . 16 1 1 A 72 72 ASN H H 72 8.521 8.660 -0.139 1
1 831 . 16 1 1 A 72 72 ASN HA H 72 4.764 4.701 0.063 1
1 836 . 16 1 1 A 72 72 ASN C C 72 175.312 176.694 -1.382 1
1 837 . 16 1 1 A 72 72 ASN CA C 72 53.471 53.811 -0.340 1
1 838 . 16 1 1 A 72 72 ASN CB C 72 38.869 38.978 -0.109 1
1 839 . 16 1 1 A 72 72 ASN N N 72 117.256 121.094 -3.838 1
1 841 . 16 1 1 A 73 73 SER H H 73 7.937 8.734 -0.797 1
1 842 . 16 1 1 A 73 73 SER HA H 73 4.429 4.171 0.258 1
1 845 . 16 1 1 A 73 73 SER C C 73 174.532 174.625 -0.093 1
1 846 . 16 1 1 A 73 73 SER CA C 73 58.642 61.881 -3.239 1
1 847 . 16 1 1 A 73 73 SER CB C 73 64.137 63.443 0.694 1
1 848 . 16 1 1 A 73 73 SER N N 73 115.503 117.550 -2.047 1
1 849 . 16 1 1 A 74 74 GLY H H 74 8.206 7.677 0.529 1
1 850 . 16 1 1 A 74 74 GLY HA2 H 74 4.071 4.352 -0.281 1
1 851 . 16 1 1 A 74 74 GLY HA3 H 74 4.123 4.353 -0.230 1
1 852 . 16 1 1 A 74 74 GLY C C 74 171.781 171.649 0.132 1
1 853 . 16 1 1 A 74 74 GLY CA C 74 44.682 45.209 -0.527 1
1 854 . 16 1 1 A 74 74 GLY N N 74 110.659 106.528 4.131 1
1 855 . 16 1 1 A 75 75 PRO HA H 75 4.446 4.548 -0.102 1
1 862 . 16 1 1 A 75 75 PRO C C 75 177.407 176.834 0.573 1
1 863 . 16 1 1 A 75 75 PRO CA C 75 63.212 62.804 0.408 1
1 864 . 16 1 1 A 75 75 PRO CB C 75 32.182 32.119 0.063 1
1 867 . 16 1 1 A 76 76 SER H H 76 8.504 8.573 -0.069 1
1 868 . 16 1 1 A 76 76 SER HA H 76 4.489 4.252 0.237 1
1 871 . 16 1 1 A 76 76 SER C C 76 174.677 174.678 -0.001 1
1 872 . 16 1 1 A 76 76 SER CA C 76 58.359 58.962 -0.603 1
1 873 . 16 1 1 A 76 76 SER CB C 76 64.013 63.619 0.394 1
1 874 . 16 1 1 A 76 76 SER N N 76 116.388 118.167 -1.779 1
1 875 . 16 1 1 A 77 77 SER H H 77 8.312 8.409 -0.097 1
1 876 . 16 1 1 A 77 77 SER C C 77 173.914 174.749 -0.835 1
1 877 . 16 1 1 A 77 77 SER CA C 77 58.342 59.887 -1.545 1
1 878 . 16 1 1 A 77 77 SER CB C 77 64.013 63.965 0.048 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.892 4.122 -0.230 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.892 4.124 -0.232 1
1 3 . 17 1 1 A 7 7 GLY C C 7 173.405 171.869 1.536 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.070 45.938 -0.868 1
1 5 . 17 1 1 A 8 8 LYS H H 8 7.913 8.814 -0.901 1
1 6 . 17 1 1 A 8 8 LYS HA H 8 4.031 4.873 -0.842 1
1 15 . 17 1 1 A 8 8 LYS C C 8 175.501 173.844 1.657 1
1 16 . 17 1 1 A 8 8 LYS CA C 8 55.765 54.974 0.791 1
1 17 . 17 1 1 A 8 8 LYS CB C 8 33.046 35.008 -1.962 1
1 21 . 17 1 1 A 8 8 LYS N N 8 121.849 123.943 -2.094 1
1 22 . 17 1 1 A 9 9 VAL H H 9 8.175 8.829 -0.654 1
1 23 . 17 1 1 A 9 9 VAL HA H 9 4.082 4.796 -0.714 1
1 31 . 17 1 1 A 9 9 VAL C C 9 175.680 173.874 1.806 1
1 32 . 17 1 1 A 9 9 VAL CA C 9 61.571 59.870 1.701 1
1 33 . 17 1 1 A 9 9 VAL CB C 9 32.224 34.178 -1.954 1
1 36 . 17 1 1 A 9 9 VAL N N 9 125.536 126.417 -0.881 1
1 37 . 17 1 1 A 10 10 TRP H H 10 8.125 8.983 -0.858 1
1 38 . 17 1 1 A 10 10 TRP HA H 10 4.667 5.181 -0.514 1
1 47 . 17 1 1 A 10 10 TRP C C 10 174.859 175.899 -1.040 1
1 48 . 17 1 1 A 10 10 TRP CA C 10 57.088 56.903 0.185 1
1 49 . 17 1 1 A 10 10 TRP CB C 10 31.730 31.733 -0.003 1
1 55 . 17 1 1 A 10 10 TRP N N 10 127.817 128.755 -0.938 1
1 57 . 17 1 1 A 11 11 LYS H H 11 9.090 9.311 -0.221 1
1 58 . 17 1 1 A 11 11 LYS HA H 11 4.856 5.034 -0.178 1
1 67 . 17 1 1 A 11 11 LYS C C 11 172.968 173.630 -0.662 1
1 68 . 17 1 1 A 11 11 LYS CA C 11 53.330 53.769 -0.439 1
1 69 . 17 1 1 A 11 11 LYS CB C 11 33.827 35.853 -2.026 1
1 73 . 17 1 1 A 11 11 LYS N N 11 120.688 118.918 1.770 1
1 74 . 17 1 1 A 12 12 PRO HA H 12 3.894 4.548 -0.654 1
1 81 . 17 1 1 A 12 12 PRO C C 12 177.287 177.606 -0.319 1
1 82 . 17 1 1 A 12 12 PRO CA C 12 63.812 63.840 -0.028 1
1 83 . 17 1 1 A 12 12 PRO CB C 12 31.278 31.310 -0.032 1
1 86 . 17 1 1 A 13 13 GLY H H 13 9.494 9.109 0.385 1
1 87 . 17 1 1 A 13 13 GLY HA2 H 13 4.431 3.967 0.464 1
1 88 . 17 1 1 A 13 13 GLY HA3 H 13 3.746 3.970 -0.224 1
1 89 . 17 1 1 A 13 13 GLY C C 13 174.798 173.649 1.149 1
1 90 . 17 1 1 A 13 13 GLY CA C 13 44.559 45.528 -0.969 1
1 91 . 17 1 1 A 13 13 GLY N N 13 114.764 112.768 1.996 1
1 92 . 17 1 1 A 14 14 ASP H H 14 8.005 7.969 0.036 1
1 93 . 17 1 1 A 14 14 ASP HA H 14 4.665 4.926 -0.261 1
1 96 . 17 1 1 A 14 14 ASP C C 14 176.143 175.305 0.838 1
1 97 . 17 1 1 A 14 14 ASP CA C 14 55.553 53.403 2.150 1
1 98 . 17 1 1 A 14 14 ASP CB C 14 41.600 43.479 -1.879 1
1 99 . 17 1 1 A 14 14 ASP N N 14 121.257 119.784 1.473 1
1 100 . 17 1 1 A 15 15 GLU H H 15 8.645 8.777 -0.132 1
1 101 . 17 1 1 A 15 15 GLU HA H 15 4.852 4.507 0.345 1
1 106 . 17 1 1 A 15 15 GLU C C 15 175.679 176.820 -1.141 1
1 107 . 17 1 1 A 15 15 GLU CA C 15 55.783 57.307 -1.524 1
1 108 . 17 1 1 A 15 15 GLU CB C 15 31.295 29.922 1.373 1
1 110 . 17 1 1 A 15 15 GLU N N 15 121.409 123.174 -1.765 1
1 111 . 17 1 1 A 16 16 CYS H H 16 8.735 9.147 -0.412 1
1 112 . 17 1 1 A 16 16 CYS HA H 16 5.086 5.128 -0.042 1
1 115 . 17 1 1 A 16 16 CYS C C 16 172.636 172.944 -0.308 1
1 116 . 17 1 1 A 16 16 CYS CA C 16 56.418 56.644 -0.226 1
1 117 . 17 1 1 A 16 16 CYS CB C 16 32.553 30.924 1.629 1
1 118 . 17 1 1 A 16 16 CYS N N 16 116.207 121.527 -5.320 1
1 119 . 17 1 1 A 17 17 PHE H H 17 9.125 9.427 -0.302 1
1 120 . 17 1 1 A 17 17 PHE HA H 17 5.235 5.601 -0.366 1
1 128 . 17 1 1 A 17 17 PHE C C 17 174.823 175.125 -0.302 1
1 129 . 17 1 1 A 17 17 PHE CA C 17 57.547 57.034 0.513 1
1 130 . 17 1 1 A 17 17 PHE CB C 17 42.053 40.390 1.663 1
1 136 . 17 1 1 A 17 17 PHE N N 17 116.836 121.064 -4.228 1
1 137 . 17 1 1 A 18 18 ALA H H 18 9.373 9.004 0.369 1
1 138 . 17 1 1 A 18 18 ALA HA H 18 5.552 5.362 0.190 1
1 142 . 17 1 1 A 18 18 ALA C C 18 175.841 176.044 -0.203 1
1 143 . 17 1 1 A 18 18 ALA CA C 18 50.147 50.055 0.092 1
1 144 . 17 1 1 A 18 18 ALA CB C 18 23.798 21.287 2.511 1
1 145 . 17 1 1 A 18 18 ALA N N 18 122.751 127.399 -4.648 1
1 146 . 17 1 1 A 19 19 LEU H H 19 7.487 8.245 -0.758 1
1 147 . 17 1 1 A 19 19 LEU HA H 19 3.514 4.502 -0.988 1
1 157 . 17 1 1 A 19 19 LEU C C 19 175.598 176.584 -0.986 1
1 158 . 17 1 1 A 19 19 LEU CA C 19 55.165 55.296 -0.131 1
1 159 . 17 1 1 A 19 19 LEU CB C 19 43.656 42.584 1.072 1
1 163 . 17 1 1 A 19 19 LEU N N 19 123.529 125.775 -2.246 1
1 164 . 17 1 1 A 20 20 TYR H H 20 9.405 8.536 0.869 1
1 165 . 17 1 1 A 20 20 TYR HA H 20 4.939 4.964 -0.025 1
1 172 . 17 1 1 A 20 20 TYR C C 20 176.593 176.888 -0.295 1
1 173 . 17 1 1 A 20 20 TYR CA C 20 55.201 58.828 -3.627 1
1 174 . 17 1 1 A 20 20 TYR CB C 20 37.899 39.563 -1.664 1
1 179 . 17 1 1 A 20 20 TYR N N 20 132.207 127.026 5.181 1
1 180 . 17 1 1 A 21 21 TRP H H 21 8.475 7.749 0.726 1
1 181 . 17 1 1 A 21 21 TRP HA H 21 4.087 4.703 -0.616 1
1 190 . 17 1 1 A 21 21 TRP C C 21 177.283 177.007 0.276 1
1 191 . 17 1 1 A 21 21 TRP CA C 21 58.695 57.008 1.687 1
1 192 . 17 1 1 A 21 21 TRP CB C 21 28.111 30.392 -2.281 1
1 198 . 17 1 1 A 21 21 TRP N N 21 128.228 124.778 3.450 1
1 200 . 17 1 1 A 22 22 GLU H H 22 4.195 7.210 -3.015 1
1 201 . 17 1 1 A 22 22 GLU HA H 22 2.895 4.242 -1.347 1
1 206 . 17 1 1 A 22 22 GLU C C 22 176.342 176.621 -0.279 1
1 207 . 17 1 1 A 22 22 GLU CA C 22 59.753 55.796 3.957 1
1 208 . 17 1 1 A 22 22 GLU CB C 22 29.468 30.490 -1.022 1
1 210 . 17 1 1 A 22 22 GLU N N 22 117.591 118.818 -1.227 1
1 211 . 17 1 1 A 23 23 ASP H H 23 6.695 7.781 -1.086 1
1 212 . 17 1 1 A 23 23 ASP HA H 23 4.554 4.793 -0.239 1
1 215 . 17 1 1 A 23 23 ASP C C 23 176.047 175.757 0.290 1
1 216 . 17 1 1 A 23 23 ASP CA C 23 51.970 54.064 -2.094 1
1 217 . 17 1 1 A 23 23 ASP CB C 23 41.353 43.242 -1.889 1
1 218 . 17 1 1 A 23 23 ASP N N 23 112.180 116.410 -4.230 1
1 219 . 17 1 1 A 24 24 ASN H H 24 8.248 7.985 0.263 1
1 220 . 17 1 1 A 24 24 ASN HA H 24 4.055 4.378 -0.323 1
1 225 . 17 1 1 A 24 24 ASN C C 24 173.702 173.660 0.042 1
1 226 . 17 1 1 A 24 24 ASN CA C 24 54.794 54.378 0.416 1
1 227 . 17 1 1 A 24 24 ASN CB C 24 37.940 36.773 1.167 1
1 228 . 17 1 1 A 24 24 ASN N N 24 116.693 115.288 1.405 1
1 230 . 17 1 1 A 25 25 LYS H H 25 7.604 7.532 0.072 1
1 231 . 17 1 1 A 25 25 LYS HA H 25 4.502 4.580 -0.078 1
1 240 . 17 1 1 A 25 25 LYS C C 25 174.726 175.310 -0.584 1
1 241 . 17 1 1 A 25 25 LYS CA C 25 54.565 54.275 0.290 1
1 242 . 17 1 1 A 25 25 LYS CB C 25 35.143 34.432 0.711 1
1 246 . 17 1 1 A 25 25 LYS N N 25 116.646 117.399 -0.753 1
1 247 . 17 1 1 A 26 26 PHE H H 26 8.361 8.455 -0.094 1
1 248 . 17 1 1 A 26 26 PHE HA H 26 5.005 4.610 0.395 1
1 256 . 17 1 1 A 26 26 PHE C C 26 176.228 175.996 0.232 1
1 257 . 17 1 1 A 26 26 PHE CA C 26 58.236 58.981 -0.745 1
1 258 . 17 1 1 A 26 26 PHE CB C 26 41.148 39.701 1.447 1
1 264 . 17 1 1 A 26 26 PHE N N 26 118.446 121.162 -2.716 1
1 265 . 17 1 1 A 27 27 TYR H H 27 8.851 8.852 -0.001 1
1 266 . 17 1 1 A 27 27 TYR HA H 27 5.045 5.196 -0.151 1
1 273 . 17 1 1 A 27 27 TYR C C 27 175.380 174.833 0.547 1
1 274 . 17 1 1 A 27 27 TYR CA C 27 56.594 56.475 0.119 1
1 275 . 17 1 1 A 27 27 TYR CB C 27 43.856 42.505 1.351 1
1 280 . 17 1 1 A 27 27 TYR N N 27 118.823 121.867 -3.044 1
1 281 . 17 1 1 A 28 28 ARG H H 28 9.026 8.500 0.526 1
1 282 . 17 1 1 A 28 28 ARG HA H 28 4.202 3.318 0.884 1
1 290 . 17 1 1 A 28 28 ARG C C 28 175.789 175.522 0.267 1
1 291 . 17 1 1 A 28 28 ARG CA C 28 57.142 56.731 0.411 1
1 292 . 17 1 1 A 28 28 ARG CB C 28 30.291 30.921 -0.630 1
1 295 . 17 1 1 A 28 28 ARG N N 28 122.262 123.750 -1.488 1
1 297 . 17 1 1 A 29 29 ALA H H 29 9.157 8.286 0.871 1
1 298 . 17 1 1 A 29 29 ALA HA H 29 5.098 4.783 0.315 1
1 302 . 17 1 1 A 29 29 ALA C C 29 175.247 174.964 0.283 1
1 303 . 17 1 1 A 29 29 ALA CA C 29 51.188 51.258 -0.070 1
1 304 . 17 1 1 A 29 29 ALA CB C 29 23.153 22.932 0.221 1
1 305 . 17 1 1 A 29 29 ALA N N 29 126.768 127.150 -0.382 1
1 306 . 17 1 1 A 30 30 GLU H H 30 8.167 8.699 -0.532 1
1 307 . 17 1 1 A 30 30 GLU HA H 30 5.085 4.767 0.318 1
1 312 . 17 1 1 A 30 30 GLU C C 30 176.265 175.083 1.182 1
1 313 . 17 1 1 A 30 30 GLU CA C 30 53.948 55.566 -1.618 1
1 314 . 17 1 1 A 30 30 GLU CB C 30 33.622 33.266 0.356 1
1 316 . 17 1 1 A 30 30 GLU N N 30 118.036 118.287 -0.251 1
1 317 . 17 1 1 A 31 31 VAL H H 31 8.961 8.557 0.404 1
1 318 . 17 1 1 A 31 31 VAL HA H 31 3.545 3.899 -0.354 1
1 326 . 17 1 1 A 31 31 VAL C C 31 175.369 175.936 -0.567 1
1 327 . 17 1 1 A 31 31 VAL CA C 31 64.571 63.418 1.153 1
1 328 . 17 1 1 A 31 31 VAL CB C 31 31.678 31.218 0.460 1
1 331 . 17 1 1 A 31 31 VAL N N 31 124.010 127.330 -3.320 1
1 332 . 17 1 1 A 32 32 GLU H H 32 9.483 9.009 0.474 1
1 333 . 17 1 1 A 32 32 GLU HA H 32 4.627 4.304 0.323 1
1 338 . 17 1 1 A 32 32 GLU C C 32 175.695 176.216 -0.521 1
1 339 . 17 1 1 A 32 32 GLU CA C 32 56.841 58.596 -1.755 1
1 340 . 17 1 1 A 32 32 GLU CB C 32 30.661 30.733 -0.072 1
1 342 . 17 1 1 A 32 32 GLU N N 32 130.912 129.582 1.330 1
1 343 . 17 1 1 A 33 33 ALA H H 33 7.838 7.680 0.158 1
1 344 . 17 1 1 A 33 33 ALA HA H 33 4.456 4.716 -0.260 1
1 348 . 17 1 1 A 33 33 ALA C C 33 174.956 175.948 -0.992 1
1 349 . 17 1 1 A 33 33 ALA CA C 33 51.777 51.735 0.042 1
1 350 . 17 1 1 A 33 33 ALA CB C 33 22.189 22.793 -0.604 1
1 351 . 17 1 1 A 33 33 ALA N N 33 117.714 119.459 -1.745 1
1 352 . 17 1 1 A 34 34 LEU H H 34 8.954 8.678 0.276 1
1 353 . 17 1 1 A 34 34 LEU HA H 34 4.702 4.584 0.118 1
1 363 . 17 1 1 A 34 34 LEU C C 34 176.325 176.680 -0.355 1
1 364 . 17 1 1 A 34 34 LEU CA C 34 53.559 54.429 -0.870 1
1 365 . 17 1 1 A 34 34 LEU CB C 34 42.381 42.832 -0.451 1
1 369 . 17 1 1 A 34 34 LEU N N 34 122.418 123.447 -1.029 1
1 370 . 17 1 1 A 35 35 HIS H H 35 8.022 8.655 -0.633 1
1 371 . 17 1 1 A 35 35 HIS HA H 35 4.544 4.995 -0.451 1
1 376 . 17 1 1 A 35 35 HIS C C 35 178.300 175.980 2.320 1
1 377 . 17 1 1 A 35 35 HIS CA C 35 57.706 54.913 2.793 1
1 378 . 17 1 1 A 35 35 HIS CB C 35 32.594 32.350 0.244 1
1 381 . 17 1 1 A 35 35 HIS N N 35 123.729 121.660 2.069 1
1 382 . 17 1 1 A 37 37 SER H H 37 10.111 7.300 2.811 1
1 383 . 17 1 1 A 37 37 SER HA H 37 4.339 4.115 0.224 1
1 386 . 17 1 1 A 37 37 SER C C 37 176.434 174.694 1.740 1
1 387 . 17 1 1 A 37 37 SER CA C 37 59.895 60.808 -0.913 1
1 388 . 17 1 1 A 37 37 SER CB C 37 63.665 63.413 0.252 1
1 389 . 17 1 1 A 37 37 SER N N 37 119.788 114.716 5.072 1
1 390 . 17 1 1 A 38 38 GLY H H 38 8.136 7.893 0.243 1
1 391 . 17 1 1 A 38 38 GLY HA2 H 38 4.257 4.022 0.235 1
1 392 . 17 1 1 A 38 38 GLY HA3 H 38 3.981 4.044 -0.063 1
1 393 . 17 1 1 A 38 38 GLY C C 38 174.441 174.357 0.084 1
1 394 . 17 1 1 A 38 38 GLY CA C 38 46.006 46.310 -0.304 1
1 395 . 17 1 1 A 38 38 GLY N N 38 108.557 108.190 0.367 1
1 396 . 17 1 1 A 39 39 MET H H 39 8.180 8.233 -0.053 1
1 397 . 17 1 1 A 39 39 MET HA H 39 4.789 4.679 0.110 1
1 405 . 17 1 1 A 39 39 MET C C 39 177.404 176.097 1.307 1
1 406 . 17 1 1 A 39 39 MET CA C 39 55.889 56.346 -0.457 1
1 407 . 17 1 1 A 39 39 MET CB C 39 34.033 35.616 -1.583 1
1 410 . 17 1 1 A 39 39 MET N N 39 113.829 116.281 -2.452 1
1 411 . 17 1 1 A 40 40 THR H H 40 7.174 8.212 -1.038 1
1 412 . 17 1 1 A 40 40 THR HA H 40 5.182 5.127 0.055 1
1 417 . 17 1 1 A 40 40 THR C C 40 172.981 173.097 -0.116 1
1 418 . 17 1 1 A 40 40 THR CA C 40 59.559 59.920 -0.361 1
1 419 . 17 1 1 A 40 40 THR CB C 40 73.120 72.142 0.978 1
1 421 . 17 1 1 A 40 40 THR N N 40 108.160 109.015 -0.855 1
1 422 . 17 1 1 A 41 41 ALA H H 41 9.245 8.331 0.914 1
1 423 . 17 1 1 A 41 41 ALA HA H 41 4.932 4.954 -0.022 1
1 427 . 17 1 1 A 41 41 ALA C C 41 175.635 176.321 -0.686 1
1 428 . 17 1 1 A 41 41 ALA CA C 41 50.417 51.368 -0.951 1
1 429 . 17 1 1 A 41 41 ALA CB C 41 22.600 23.349 -0.749 1
1 430 . 17 1 1 A 41 41 ALA N N 41 122.138 122.093 0.045 1
1 431 . 17 1 1 A 42 42 VAL H H 42 8.773 8.939 -0.166 1
1 432 . 17 1 1 A 42 42 VAL HA H 42 4.789 4.419 0.370 1
1 440 . 17 1 1 A 42 42 VAL C C 42 176.410 175.561 0.849 1
1 441 . 17 1 1 A 42 42 VAL CA C 42 62.083 62.054 0.029 1
1 442 . 17 1 1 A 42 42 VAL CB C 42 32.776 31.732 1.044 1
1 445 . 17 1 1 A 42 42 VAL N N 42 120.320 119.163 1.157 1
1 446 . 17 1 1 A 43 43 VAL H H 43 9.224 8.589 0.635 1
1 447 . 17 1 1 A 43 43 VAL HA H 43 5.013 4.891 0.122 1
1 455 . 17 1 1 A 43 43 VAL C C 43 172.532 173.905 -1.373 1
1 456 . 17 1 1 A 43 43 VAL CA C 43 57.812 59.596 -1.784 1
1 457 . 17 1 1 A 43 43 VAL CB C 43 34.280 34.191 0.089 1
1 460 . 17 1 1 A 43 43 VAL N N 43 121.151 122.199 -1.048 1
1 461 . 17 1 1 A 44 44 LYS H H 44 8.645 8.497 0.148 1
1 462 . 17 1 1 A 44 44 LYS HA H 44 4.627 4.892 -0.265 1
1 471 . 17 1 1 A 44 44 LYS C C 44 177.419 176.193 1.226 1
1 472 . 17 1 1 A 44 44 LYS CA C 44 53.612 54.651 -1.039 1
1 473 . 17 1 1 A 44 44 LYS CB C 44 35.143 34.431 0.712 1
1 477 . 17 1 1 A 44 44 LYS N N 44 121.425 124.914 -3.489 1
1 478 . 17 1 1 A 45 45 PHE H H 45 8.823 9.100 -0.277 1
1 479 . 17 1 1 A 45 45 PHE HA H 45 4.505 4.672 -0.167 1
1 487 . 17 1 1 A 45 45 PHE C C 45 177.585 175.528 2.057 1
1 488 . 17 1 1 A 45 45 PHE CA C 45 59.841 58.211 1.630 1
1 489 . 17 1 1 A 45 45 PHE CB C 45 38.598 40.173 -1.575 1
1 495 . 17 1 1 A 45 45 PHE N N 45 128.232 125.244 2.988 1
1 496 . 17 1 1 A 46 46 THR H H 46 8.281 8.378 -0.097 1
1 497 . 17 1 1 A 46 46 THR HA H 46 3.738 4.395 -0.657 1
1 502 . 17 1 1 A 46 46 THR C C 46 176.410 175.983 0.427 1
1 503 . 17 1 1 A 46 46 THR CA C 46 65.930 63.986 1.944 1
1 504 . 17 1 1 A 46 46 THR CB C 46 68.743 69.561 -0.818 1
1 506 . 17 1 1 A 46 46 THR N N 46 120.729 116.850 3.879 1
1 507 . 17 1 1 A 47 47 ASP H H 47 9.166 8.411 0.755 1
1 508 . 17 1 1 A 47 47 ASP HA H 47 4.300 4.031 0.269 1
1 511 . 17 1 1 A 47 47 ASP C C 47 176.844 177.047 -0.203 1
1 512 . 17 1 1 A 47 47 ASP CA C 47 57.283 57.403 -0.120 1
1 513 . 17 1 1 A 47 47 ASP CB C 47 40.037 40.352 -0.315 1
1 514 . 17 1 1 A 47 47 ASP N N 47 120.635 121.013 -0.378 1
1 515 . 17 1 1 A 48 48 TYR H H 48 7.676 7.585 0.091 1
1 516 . 17 1 1 A 48 48 TYR HA H 48 4.605 4.601 0.004 1
1 523 . 17 1 1 A 48 48 TYR C C 48 177.343 176.161 1.182 1
1 524 . 17 1 1 A 48 48 TYR CA C 48 57.777 58.924 -1.147 1
1 525 . 17 1 1 A 48 48 TYR CB C 48 39.914 40.516 -0.602 1
1 530 . 17 1 1 A 48 48 TYR N N 48 114.763 114.201 0.562 1
1 531 . 17 1 1 A 49 49 GLY H H 49 8.065 8.288 -0.223 1
1 532 . 17 1 1 A 49 49 GLY HA2 H 49 4.023 4.017 0.006 1
1 533 . 17 1 1 A 49 49 GLY HA3 H 49 3.571 4.027 -0.456 1
1 534 . 17 1 1 A 49 49 GLY C C 49 172.707 174.073 -1.366 1
1 535 . 17 1 1 A 49 49 GLY CA C 49 46.165 45.241 0.924 1
1 536 . 17 1 1 A 49 49 GLY N N 49 107.679 106.855 0.824 1
1 537 . 17 1 1 A 50 50 ASN H H 50 8.836 7.954 0.882 1
1 538 . 17 1 1 A 50 50 ASN HA H 50 4.777 4.988 -0.211 1
1 543 . 17 1 1 A 50 50 ASN C C 50 173.696 173.356 0.340 1
1 544 . 17 1 1 A 50 50 ASN CA C 50 52.747 51.278 1.469 1
1 545 . 17 1 1 A 50 50 ASN CB C 50 37.710 41.719 -4.009 1
1 546 . 17 1 1 A 50 50 ASN N N 50 114.795 118.690 -3.895 1
1 548 . 17 1 1 A 51 51 TYR H H 51 8.726 8.760 -0.034 1
1 549 . 17 1 1 A 51 51 TYR HA H 51 5.696 5.402 0.294 1
1 556 . 17 1 1 A 51 51 TYR C C 51 176.871 175.375 1.496 1
1 557 . 17 1 1 A 51 51 TYR CA C 51 56.789 57.065 -0.276 1
1 558 . 17 1 1 A 51 51 TYR CB C 51 40.037 41.467 -1.430 1
1 563 . 17 1 1 A 51 51 TYR N N 51 120.703 120.429 0.274 1
1 564 . 17 1 1 A 52 52 GLU H H 52 8.995 8.638 0.357 1
1 565 . 17 1 1 A 52 52 GLU HA H 52 4.981 4.917 0.064 1
1 570 . 17 1 1 A 52 52 GLU C C 52 174.629 175.052 -0.423 1
1 571 . 17 1 1 A 52 52 GLU CA C 52 54.070 55.593 -1.523 1
1 572 . 17 1 1 A 52 52 GLU CB C 52 34.814 33.840 0.974 1
1 574 . 17 1 1 A 52 52 GLU N N 52 118.929 120.518 -1.589 1
1 575 . 17 1 1 A 53 53 GLU H H 53 8.995 8.671 0.324 1
1 576 . 17 1 1 A 53 53 GLU HA H 53 5.175 4.551 0.624 1
1 581 . 17 1 1 A 53 53 GLU C C 53 176.301 175.444 0.857 1
1 582 . 17 1 1 A 53 53 GLU CA C 53 55.500 56.407 -0.907 1
1 583 . 17 1 1 A 53 53 GLU CB C 53 30.537 30.012 0.525 1
1 585 . 17 1 1 A 53 53 GLU N N 53 122.819 124.929 -2.110 1
1 586 . 17 1 1 A 54 54 VAL H H 54 9.375 8.380 0.995 1
1 587 . 17 1 1 A 54 54 VAL HA H 54 4.739 4.661 0.078 1
1 595 . 17 1 1 A 54 54 VAL C C 54 175.017 175.135 -0.118 1
1 596 . 17 1 1 A 54 54 VAL CA C 54 59.647 60.866 -1.219 1
1 597 . 17 1 1 A 54 54 VAL CB C 54 36.171 35.544 0.627 1
1 600 . 17 1 1 A 54 54 VAL N N 54 125.177 126.768 -1.591 1
1 601 . 17 1 1 A 55 55 LEU H H 55 8.744 8.540 0.204 1
1 602 . 17 1 1 A 55 55 LEU HA H 55 4.500 4.420 0.080 1
1 612 . 17 1 1 A 55 55 LEU C C 55 179.440 178.442 0.998 1
1 613 . 17 1 1 A 55 55 LEU CA C 55 55.495 55.027 0.468 1
1 614 . 17 1 1 A 55 55 LEU CB C 55 42.628 41.980 0.648 1
1 618 . 17 1 1 A 55 55 LEU N N 55 123.920 126.138 -2.218 1
1 619 . 17 1 1 A 56 56 LEU H H 56 8.324 8.418 -0.094 1
1 620 . 17 1 1 A 56 56 LEU HA H 56 3.855 3.980 -0.125 1
1 630 . 17 1 1 A 56 56 LEU C C 56 178.810 178.886 -0.076 1
1 631 . 17 1 1 A 56 56 LEU CA C 56 57.883 57.605 0.278 1
1 632 . 17 1 1 A 56 56 LEU CB C 56 41.330 41.591 -0.261 1
1 636 . 17 1 1 A 56 56 LEU N N 56 123.383 123.097 0.286 1
1 637 . 17 1 1 A 57 57 SER H H 57 7.886 8.095 -0.209 1
1 638 . 17 1 1 A 57 57 SER HA H 57 4.364 4.392 -0.028 1
1 641 . 17 1 1 A 57 57 SER C C 57 174.944 175.439 -0.495 1
1 642 . 17 1 1 A 57 57 SER CA C 57 59.859 60.854 -0.995 1
1 643 . 17 1 1 A 57 57 SER CB C 57 62.509 62.928 -0.419 1
1 644 . 17 1 1 A 57 57 SER N N 57 109.927 114.755 -4.828 1
1 645 . 17 1 1 A 58 58 ASN H H 58 8.085 8.289 -0.204 1
1 646 . 17 1 1 A 58 58 ASN HA H 58 5.275 4.998 0.277 1
1 651 . 17 1 1 A 58 58 ASN C C 58 172.402 173.467 -1.065 1
1 652 . 17 1 1 A 58 58 ASN CA C 58 52.535 53.169 -0.634 1
1 653 . 17 1 1 A 58 58 ASN CB C 58 39.585 39.190 0.395 1
1 654 . 17 1 1 A 58 58 ASN N N 58 120.812 116.337 4.475 1
1 656 . 17 1 1 A 59 59 ILE H H 59 7.291 7.254 0.037 1
1 657 . 17 1 1 A 59 59 ILE HA H 59 5.125 5.149 -0.024 1
1 667 . 17 1 1 A 59 59 ILE C C 59 174.980 174.596 0.384 1
1 668 . 17 1 1 A 59 59 ILE CA C 59 60.659 60.188 0.471 1
1 669 . 17 1 1 A 59 59 ILE CB C 59 39.996 39.766 0.230 1
1 673 . 17 1 1 A 59 59 ILE N N 59 115.444 121.515 -6.071 1
1 674 . 17 1 1 A 60 60 LYS H H 60 9.366 9.248 0.118 1
1 675 . 17 1 1 A 60 60 LYS HA H 60 5.300 4.971 0.329 1
1 684 . 17 1 1 A 60 60 LYS C C 60 173.381 174.560 -1.179 1
1 685 . 17 1 1 A 60 60 LYS CA C 60 52.977 52.739 0.238 1
1 686 . 17 1 1 A 60 60 LYS CB C 60 34.814 33.556 1.258 1
1 690 . 17 1 1 A 60 60 LYS N N 60 122.819 127.562 -4.743 1
1 691 . 17 1 1 A 61 61 PRO HA H 61 5.027 5.082 -0.055 1
1 698 . 17 1 1 A 61 61 PRO C C 61 176.256 177.065 -0.809 1
1 699 . 17 1 1 A 61 61 PRO CA C 61 62.754 63.024 -0.270 1
1 700 . 17 1 1 A 61 61 PRO CB C 61 32.594 32.006 0.588 1
1 703 . 17 1 1 A 62 62 VAL H H 62 8.525 8.177 0.348 1
1 704 . 17 1 1 A 62 62 VAL HA H 62 3.969 4.360 -0.391 1
1 712 . 17 1 1 A 62 62 VAL C C 62 176.192 176.127 0.065 1
1 713 . 17 1 1 A 62 62 VAL CA C 62 62.895 62.178 0.717 1
1 714 . 17 1 1 A 62 62 VAL CB C 62 32.059 32.554 -0.495 1
1 717 . 17 1 1 A 62 62 VAL N N 62 117.807 123.896 -6.089 1
1 718 . 17 1 1 A 63 63 GLN H H 63 7.815 8.585 -0.770 1
1 719 . 17 1 1 A 63 63 GLN HA H 63 4.415 4.432 -0.017 1
1 726 . 17 1 1 A 63 63 GLN C C 63 175.716 175.776 -0.060 1
1 727 . 17 1 1 A 63 63 GLN CA C 63 55.535 56.615 -1.080 1
1 728 . 17 1 1 A 63 63 GLN CB C 63 29.468 28.926 0.542 1
1 730 . 17 1 1 A 63 63 GLN N N 63 122.188 126.509 -4.321 1
1 732 . 17 1 1 A 64 64 THR H H 64 8.185 8.606 -0.421 1
1 733 . 17 1 1 A 64 64 THR HA H 64 4.154 4.826 -0.672 1
1 738 . 17 1 1 A 64 64 THR C C 64 174.616 172.023 2.593 1
1 739 . 17 1 1 A 64 64 THR CA C 64 62.277 61.077 1.200 1
1 740 . 17 1 1 A 64 64 THR CB C 64 69.565 71.601 -2.036 1
1 742 . 17 1 1 A 64 64 THR N N 64 116.169 115.577 0.592 1
1 743 . 17 1 1 A 65 65 GLU H H 65 8.460 8.819 -0.359 1
1 744 . 17 1 1 A 65 65 GLU HA H 65 4.174 4.908 -0.734 1
1 749 . 17 1 1 A 65 65 GLU C C 65 176.216 175.162 1.054 1
1 750 . 17 1 1 A 65 65 GLU CA C 65 56.647 56.036 0.611 1
1 751 . 17 1 1 A 65 65 GLU CB C 65 30.044 29.291 0.753 1
1 753 . 17 1 1 A 65 65 GLU N N 65 123.014 126.603 -3.589 1
1 754 . 17 1 1 A 66 66 ALA H H 66 8.245 8.514 -0.269 1
1 755 . 17 1 1 A 66 66 ALA HA H 66 4.205 4.704 -0.499 1
1 759 . 17 1 1 A 66 66 ALA C C 66 177.258 177.006 0.252 1
1 760 . 17 1 1 A 66 66 ALA CA C 66 52.730 51.050 1.680 1
1 761 . 17 1 1 A 66 66 ALA CB C 66 19.064 19.167 -0.103 1
1 762 . 17 1 1 A 66 66 ALA N N 66 124.251 126.083 -1.832 1
1 763 . 17 1 1 A 67 67 TRP H H 67 7.875 8.289 -0.414 1
1 764 . 17 1 1 A 67 67 TRP HA H 67 4.609 4.637 -0.028 1
1 772 . 17 1 1 A 67 67 TRP C C 67 175.889 176.614 -0.725 1
1 773 . 17 1 1 A 67 67 TRP CA C 67 57.106 58.135 -1.029 1
1 774 . 17 1 1 A 67 67 TRP CB C 67 29.427 30.394 -0.967 1
1 779 . 17 1 1 A 67 67 TRP N N 67 119.568 121.605 -2.037 1
1 781 . 17 1 1 A 68 68 VAL H H 68 7.815 8.739 -0.924 1
1 782 . 17 1 1 A 68 68 VAL HA H 68 3.917 4.478 -0.561 1
1 790 . 17 1 1 A 68 68 VAL C C 68 175.368 174.986 0.382 1
1 791 . 17 1 1 A 68 68 VAL CA C 68 62.189 61.416 0.773 1
1 792 . 17 1 1 A 68 68 VAL CB C 68 32.981 30.817 2.164 1
1 795 . 17 1 1 A 68 68 VAL N N 68 122.485 123.072 -0.587 1
1 796 . 17 1 1 A 69 69 ARG H H 69 8.084 8.121 -0.037 1
1 797 . 17 1 1 A 69 69 ARG HA H 69 4.107 4.781 -0.674 1
1 804 . 17 1 1 A 69 69 ARG C C 69 175.465 175.022 0.443 1
1 805 . 17 1 1 A 69 69 ARG CA C 69 55.841 56.209 -0.368 1
1 806 . 17 1 1 A 69 69 ARG CB C 69 30.949 30.923 0.026 1
1 809 . 17 1 1 A 69 69 ARG N N 69 124.540 126.509 -1.969 1
1 810 . 17 1 1 A 70 70 ASP H H 70 8.365 8.858 -0.493 1
1 811 . 17 1 1 A 70 70 ASP HA H 70 4.780 5.087 -0.307 1
1 814 . 17 1 1 A 70 70 ASP C C 70 175.319 173.009 2.310 1
1 815 . 17 1 1 A 70 70 ASP CA C 70 51.882 51.954 -0.072 1
1 816 . 17 1 1 A 70 70 ASP CB C 70 41.312 43.882 -2.570 1
1 817 . 17 1 1 A 70 70 ASP N N 70 123.498 124.767 -1.269 1
1 818 . 17 1 1 A 71 71 PRO HA H 71 4.355 4.767 -0.412 1
1 825 . 17 1 1 A 71 71 PRO C C 71 177.091 175.556 1.535 1
1 826 . 17 1 1 A 71 71 PRO CA C 71 63.777 62.578 1.199 1
1 827 . 17 1 1 A 71 71 PRO CB C 71 32.118 30.965 1.153 1
1 830 . 17 1 1 A 72 72 ASN H H 72 8.521 8.606 -0.085 1
1 831 . 17 1 1 A 72 72 ASN HA H 72 4.764 5.054 -0.290 1
1 836 . 17 1 1 A 72 72 ASN C C 72 175.312 175.686 -0.374 1
1 837 . 17 1 1 A 72 72 ASN CA C 72 53.471 51.706 1.765 1
1 838 . 17 1 1 A 72 72 ASN CB C 72 38.869 41.097 -2.228 1
1 839 . 17 1 1 A 72 72 ASN N N 72 117.256 122.049 -4.793 1
1 841 . 17 1 1 A 73 73 SER H H 73 7.937 8.835 -0.898 1
1 842 . 17 1 1 A 73 73 SER HA H 73 4.429 4.093 0.336 1
1 845 . 17 1 1 A 73 73 SER C C 73 174.532 175.225 -0.693 1
1 846 . 17 1 1 A 73 73 SER CA C 73 58.642 61.628 -2.986 1
1 847 . 17 1 1 A 73 73 SER CB C 73 64.137 63.496 0.641 1
1 848 . 17 1 1 A 73 73 SER N N 73 115.503 117.536 -2.033 1
1 849 . 17 1 1 A 74 74 GLY H H 74 8.206 7.794 0.412 1
1 850 . 17 1 1 A 74 74 GLY HA2 H 74 4.071 4.131 -0.060 1
1 851 . 17 1 1 A 74 74 GLY HA3 H 74 4.123 4.133 -0.010 1
1 852 . 17 1 1 A 74 74 GLY C C 74 171.781 173.426 -1.645 1
1 853 . 17 1 1 A 74 74 GLY CA C 74 44.682 44.512 0.170 1
1 854 . 17 1 1 A 74 74 GLY N N 74 110.659 107.193 3.466 1
1 855 . 17 1 1 A 75 75 PRO HA H 75 4.446 4.739 -0.293 1
1 862 . 17 1 1 A 75 75 PRO C C 75 177.407 176.108 1.299 1
1 863 . 17 1 1 A 75 75 PRO CA C 75 63.212 62.750 0.462 1
1 864 . 17 1 1 A 75 75 PRO CB C 75 32.182 31.723 0.459 1
1 867 . 17 1 1 A 76 76 SER H H 76 8.504 8.581 -0.077 1
1 868 . 17 1 1 A 76 76 SER HA H 76 4.489 4.834 -0.345 1
1 871 . 17 1 1 A 76 76 SER C C 76 174.677 175.394 -0.717 1
1 872 . 17 1 1 A 76 76 SER CA C 76 58.359 58.033 0.326 1
1 873 . 17 1 1 A 76 76 SER CB C 76 64.013 64.930 -0.917 1
1 874 . 17 1 1 A 76 76 SER N N 76 116.388 119.853 -3.465 1
1 875 . 17 1 1 A 77 77 SER H H 77 8.312 8.946 -0.634 1
1 876 . 17 1 1 A 77 77 SER C C 77 173.914 174.258 -0.344 1
1 877 . 17 1 1 A 77 77 SER CA C 77 58.342 61.069 -2.727 1
1 878 . 17 1 1 A 77 77 SER CB C 77 64.013 63.331 0.682 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.892 3.981 -0.089 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.892 3.984 -0.092 1
1 3 . 18 1 1 A 7 7 GLY C C 7 173.405 173.765 -0.360 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.070 45.502 -0.432 1
1 5 . 18 1 1 A 8 8 LYS H H 8 7.913 7.939 -0.026 1
1 6 . 18 1 1 A 8 8 LYS HA H 8 4.031 4.615 -0.584 1
1 15 . 18 1 1 A 8 8 LYS C C 8 175.501 173.845 1.656 1
1 16 . 18 1 1 A 8 8 LYS CA C 8 55.765 54.856 0.909 1
1 17 . 18 1 1 A 8 8 LYS CB C 8 33.046 34.783 -1.737 1
1 21 . 18 1 1 A 8 8 LYS N N 8 121.849 122.383 -0.534 1
1 22 . 18 1 1 A 9 9 VAL H H 9 8.175 8.817 -0.642 1
1 23 . 18 1 1 A 9 9 VAL HA H 9 4.082 4.758 -0.676 1
1 31 . 18 1 1 A 9 9 VAL C C 9 175.680 174.334 1.346 1
1 32 . 18 1 1 A 9 9 VAL CA C 9 61.571 59.859 1.712 1
1 33 . 18 1 1 A 9 9 VAL CB C 9 32.224 34.085 -1.861 1
1 36 . 18 1 1 A 9 9 VAL N N 9 125.536 126.442 -0.906 1
1 37 . 18 1 1 A 10 10 TRP H H 10 8.125 8.881 -0.756 1
1 38 . 18 1 1 A 10 10 TRP HA H 10 4.667 5.176 -0.509 1
1 47 . 18 1 1 A 10 10 TRP C C 10 174.859 175.948 -1.089 1
1 48 . 18 1 1 A 10 10 TRP CA C 10 57.088 56.754 0.334 1
1 49 . 18 1 1 A 10 10 TRP CB C 10 31.730 31.603 0.127 1
1 55 . 18 1 1 A 10 10 TRP N N 10 127.817 128.895 -1.078 1
1 57 . 18 1 1 A 11 11 LYS H H 11 9.090 9.253 -0.163 1
1 58 . 18 1 1 A 11 11 LYS HA H 11 4.856 4.976 -0.120 1
1 67 . 18 1 1 A 11 11 LYS C C 11 172.968 173.468 -0.500 1
1 68 . 18 1 1 A 11 11 LYS CA C 11 53.330 54.377 -1.047 1
1 69 . 18 1 1 A 11 11 LYS CB C 11 33.827 35.861 -2.034 1
1 73 . 18 1 1 A 11 11 LYS N N 11 120.688 118.622 2.066 1
1 74 . 18 1 1 A 12 12 PRO HA H 12 3.894 4.295 -0.401 1
1 81 . 18 1 1 A 12 12 PRO C C 12 177.287 177.553 -0.266 1
1 82 . 18 1 1 A 12 12 PRO CA C 12 63.812 63.741 0.071 1
1 83 . 18 1 1 A 12 12 PRO CB C 12 31.278 31.274 0.004 1
1 86 . 18 1 1 A 13 13 GLY H H 13 9.494 8.580 0.914 1
1 87 . 18 1 1 A 13 13 GLY HA2 H 13 4.431 4.044 0.387 1
1 88 . 18 1 1 A 13 13 GLY HA3 H 13 3.746 4.049 -0.303 1
1 89 . 18 1 1 A 13 13 GLY C C 13 174.798 173.576 1.222 1
1 90 . 18 1 1 A 13 13 GLY CA C 13 44.559 45.265 -0.706 1
1 91 . 18 1 1 A 13 13 GLY N N 13 114.764 112.735 2.029 1
1 92 . 18 1 1 A 14 14 ASP H H 14 8.005 7.948 0.057 1
1 93 . 18 1 1 A 14 14 ASP HA H 14 4.665 5.033 -0.368 1
1 96 . 18 1 1 A 14 14 ASP C C 14 176.143 175.065 1.078 1
1 97 . 18 1 1 A 14 14 ASP CA C 14 55.553 53.221 2.332 1
1 98 . 18 1 1 A 14 14 ASP CB C 14 41.600 44.418 -2.818 1
1 99 . 18 1 1 A 14 14 ASP N N 14 121.257 119.926 1.331 1
1 100 . 18 1 1 A 15 15 GLU H H 15 8.645 8.767 -0.122 1
1 101 . 18 1 1 A 15 15 GLU HA H 15 4.852 4.556 0.296 1
1 106 . 18 1 1 A 15 15 GLU C C 15 175.679 176.603 -0.924 1
1 107 . 18 1 1 A 15 15 GLU CA C 15 55.783 57.244 -1.461 1
1 108 . 18 1 1 A 15 15 GLU CB C 15 31.295 29.823 1.472 1
1 110 . 18 1 1 A 15 15 GLU N N 15 121.409 122.916 -1.507 1
1 111 . 18 1 1 A 16 16 CYS H H 16 8.735 9.117 -0.382 1
1 112 . 18 1 1 A 16 16 CYS HA H 16 5.086 5.065 0.021 1
1 115 . 18 1 1 A 16 16 CYS C C 16 172.636 172.969 -0.333 1
1 116 . 18 1 1 A 16 16 CYS CA C 16 56.418 56.512 -0.094 1
1 117 . 18 1 1 A 16 16 CYS CB C 16 32.553 31.086 1.467 1
1 118 . 18 1 1 A 16 16 CYS N N 16 116.207 120.693 -4.486 1
1 119 . 18 1 1 A 17 17 PHE H H 17 9.125 9.046 0.079 1
1 120 . 18 1 1 A 17 17 PHE HA H 17 5.235 5.706 -0.471 1
1 128 . 18 1 1 A 17 17 PHE C C 17 174.823 175.271 -0.448 1
1 129 . 18 1 1 A 17 17 PHE CA C 17 57.547 56.882 0.665 1
1 130 . 18 1 1 A 17 17 PHE CB C 17 42.053 40.466 1.587 1
1 136 . 18 1 1 A 17 17 PHE N N 17 116.836 120.302 -3.466 1
1 137 . 18 1 1 A 18 18 ALA H H 18 9.373 9.055 0.318 1
1 138 . 18 1 1 A 18 18 ALA HA H 18 5.552 5.387 0.165 1
1 142 . 18 1 1 A 18 18 ALA C C 18 175.841 175.634 0.207 1
1 143 . 18 1 1 A 18 18 ALA CA C 18 50.147 50.003 0.144 1
1 144 . 18 1 1 A 18 18 ALA CB C 18 23.798 21.963 1.835 1
1 145 . 18 1 1 A 18 18 ALA N N 18 122.751 126.992 -4.241 1
1 146 . 18 1 1 A 19 19 LEU H H 19 7.487 8.565 -1.078 1
1 147 . 18 1 1 A 19 19 LEU HA H 19 3.514 4.450 -0.936 1
1 157 . 18 1 1 A 19 19 LEU C C 19 175.598 176.559 -0.961 1
1 158 . 18 1 1 A 19 19 LEU CA C 19 55.165 54.670 0.495 1
1 159 . 18 1 1 A 19 19 LEU CB C 19 43.656 43.392 0.264 1
1 163 . 18 1 1 A 19 19 LEU N N 19 123.529 124.834 -1.305 1
1 164 . 18 1 1 A 20 20 TYR H H 20 9.405 8.533 0.872 1
1 165 . 18 1 1 A 20 20 TYR HA H 20 4.939 4.854 0.085 1
1 172 . 18 1 1 A 20 20 TYR C C 20 176.593 177.159 -0.566 1
1 173 . 18 1 1 A 20 20 TYR CA C 20 55.201 59.134 -3.933 1
1 174 . 18 1 1 A 20 20 TYR CB C 20 37.899 39.373 -1.474 1
1 179 . 18 1 1 A 20 20 TYR N N 20 132.207 127.084 5.123 1
1 180 . 18 1 1 A 21 21 TRP H H 21 8.475 7.941 0.534 1
1 181 . 18 1 1 A 21 21 TRP HA H 21 4.087 4.586 -0.499 1
1 190 . 18 1 1 A 21 21 TRP C C 21 177.283 176.600 0.683 1
1 191 . 18 1 1 A 21 21 TRP CA C 21 58.695 57.499 1.196 1
1 192 . 18 1 1 A 21 21 TRP CB C 21 28.111 29.871 -1.760 1
1 198 . 18 1 1 A 21 21 TRP N N 21 128.228 126.167 2.061 1
1 200 . 18 1 1 A 22 22 GLU H H 22 4.195 7.048 -2.853 1
1 201 . 18 1 1 A 22 22 GLU HA H 22 2.895 4.138 -1.243 1
1 206 . 18 1 1 A 22 22 GLU C C 22 176.342 176.753 -0.411 1
1 207 . 18 1 1 A 22 22 GLU CA C 22 59.753 55.919 3.834 1
1 208 . 18 1 1 A 22 22 GLU CB C 22 29.468 30.099 -0.631 1
1 210 . 18 1 1 A 22 22 GLU N N 22 117.591 118.947 -1.356 1
1 211 . 18 1 1 A 23 23 ASP H H 23 6.695 7.778 -1.083 1
1 212 . 18 1 1 A 23 23 ASP HA H 23 4.554 4.793 -0.239 1
1 215 . 18 1 1 A 23 23 ASP C C 23 176.047 175.666 0.381 1
1 216 . 18 1 1 A 23 23 ASP CA C 23 51.970 53.937 -1.967 1
1 217 . 18 1 1 A 23 23 ASP CB C 23 41.353 43.255 -1.902 1
1 218 . 18 1 1 A 23 23 ASP N N 23 112.180 116.488 -4.308 1
1 219 . 18 1 1 A 24 24 ASN H H 24 8.248 8.010 0.238 1
1 220 . 18 1 1 A 24 24 ASN HA H 24 4.055 4.596 -0.541 1
1 225 . 18 1 1 A 24 24 ASN C C 24 173.702 173.712 -0.010 1
1 226 . 18 1 1 A 24 24 ASN CA C 24 54.794 54.448 0.346 1
1 227 . 18 1 1 A 24 24 ASN CB C 24 37.940 36.603 1.337 1
1 228 . 18 1 1 A 24 24 ASN N N 24 116.693 115.228 1.465 1
1 230 . 18 1 1 A 25 25 LYS H H 25 7.604 7.554 0.050 1
1 231 . 18 1 1 A 25 25 LYS HA H 25 4.502 4.511 -0.009 1
1 240 . 18 1 1 A 25 25 LYS C C 25 174.726 175.139 -0.413 1
1 241 . 18 1 1 A 25 25 LYS CA C 25 54.565 54.388 0.177 1
1 242 . 18 1 1 A 25 25 LYS CB C 25 35.143 34.595 0.548 1
1 246 . 18 1 1 A 25 25 LYS N N 25 116.646 117.323 -0.677 1
1 247 . 18 1 1 A 26 26 PHE H H 26 8.361 8.377 -0.016 1
1 248 . 18 1 1 A 26 26 PHE HA H 26 5.005 4.531 0.474 1
1 256 . 18 1 1 A 26 26 PHE C C 26 176.228 176.129 0.099 1
1 257 . 18 1 1 A 26 26 PHE CA C 26 58.236 59.563 -1.327 1
1 258 . 18 1 1 A 26 26 PHE CB C 26 41.148 39.821 1.327 1
1 264 . 18 1 1 A 26 26 PHE N N 26 118.446 121.244 -2.798 1
1 265 . 18 1 1 A 27 27 TYR H H 27 8.851 9.001 -0.150 1
1 266 . 18 1 1 A 27 27 TYR HA H 27 5.045 5.305 -0.260 1
1 273 . 18 1 1 A 27 27 TYR C C 27 175.380 175.678 -0.298 1
1 274 . 18 1 1 A 27 27 TYR CA C 27 56.594 56.804 -0.210 1
1 275 . 18 1 1 A 27 27 TYR CB C 27 43.856 42.745 1.111 1
1 280 . 18 1 1 A 27 27 TYR N N 27 118.823 121.082 -2.259 1
1 281 . 18 1 1 A 28 28 ARG H H 28 9.026 8.788 0.238 1
1 282 . 18 1 1 A 28 28 ARG HA H 28 4.202 3.394 0.808 1
1 290 . 18 1 1 A 28 28 ARG C C 28 175.789 176.411 -0.622 1
1 291 . 18 1 1 A 28 28 ARG CA C 28 57.142 57.336 -0.194 1
1 292 . 18 1 1 A 28 28 ARG CB C 28 30.291 30.720 -0.429 1
1 295 . 18 1 1 A 28 28 ARG N N 28 122.262 123.777 -1.515 1
1 297 . 18 1 1 A 29 29 ALA H H 29 9.157 8.164 0.993 1
1 298 . 18 1 1 A 29 29 ALA HA H 29 5.098 5.112 -0.014 1
1 302 . 18 1 1 A 29 29 ALA C C 29 175.247 175.149 0.098 1
1 303 . 18 1 1 A 29 29 ALA CA C 29 51.188 51.341 -0.153 1
1 304 . 18 1 1 A 29 29 ALA CB C 29 23.153 22.962 0.191 1
1 305 . 18 1 1 A 29 29 ALA N N 29 126.768 123.634 3.134 1
1 306 . 18 1 1 A 30 30 GLU H H 30 8.167 8.704 -0.537 1
1 307 . 18 1 1 A 30 30 GLU HA H 30 5.085 4.704 0.381 1
1 312 . 18 1 1 A 30 30 GLU C C 30 176.265 175.090 1.175 1
1 313 . 18 1 1 A 30 30 GLU CA C 30 53.948 55.545 -1.597 1
1 314 . 18 1 1 A 30 30 GLU CB C 30 33.622 33.460 0.162 1
1 316 . 18 1 1 A 30 30 GLU N N 30 118.036 118.157 -0.121 1
1 317 . 18 1 1 A 31 31 VAL H H 31 8.961 8.631 0.330 1
1 318 . 18 1 1 A 31 31 VAL HA H 31 3.545 3.874 -0.329 1
1 326 . 18 1 1 A 31 31 VAL C C 31 175.369 175.766 -0.397 1
1 327 . 18 1 1 A 31 31 VAL CA C 31 64.571 63.504 1.067 1
1 328 . 18 1 1 A 31 31 VAL CB C 31 31.678 31.712 -0.034 1
1 331 . 18 1 1 A 31 31 VAL N N 31 124.010 127.214 -3.204 1
1 332 . 18 1 1 A 32 32 GLU H H 32 9.483 9.288 0.195 1
1 333 . 18 1 1 A 32 32 GLU HA H 32 4.627 4.441 0.186 1
1 338 . 18 1 1 A 32 32 GLU C C 32 175.695 175.914 -0.219 1
1 339 . 18 1 1 A 32 32 GLU CA C 32 56.841 58.044 -1.203 1
1 340 . 18 1 1 A 32 32 GLU CB C 32 30.661 31.000 -0.339 1
1 342 . 18 1 1 A 32 32 GLU N N 32 130.912 129.435 1.477 1
1 343 . 18 1 1 A 33 33 ALA H H 33 7.838 7.640 0.198 1
1 344 . 18 1 1 A 33 33 ALA HA H 33 4.456 4.714 -0.258 1
1 348 . 18 1 1 A 33 33 ALA C C 33 174.956 176.014 -1.058 1
1 349 . 18 1 1 A 33 33 ALA CA C 33 51.777 51.929 -0.152 1
1 350 . 18 1 1 A 33 33 ALA CB C 33 22.189 22.295 -0.106 1
1 351 . 18 1 1 A 33 33 ALA N N 33 117.714 119.535 -1.821 1
1 352 . 18 1 1 A 34 34 LEU H H 34 8.954 8.754 0.200 1
1 353 . 18 1 1 A 34 34 LEU HA H 34 4.702 4.392 0.310 1
1 363 . 18 1 1 A 34 34 LEU C C 34 176.325 176.847 -0.522 1
1 364 . 18 1 1 A 34 34 LEU CA C 34 53.559 54.856 -1.297 1
1 365 . 18 1 1 A 34 34 LEU CB C 34 42.381 42.454 -0.073 1
1 369 . 18 1 1 A 34 34 LEU N N 34 122.418 124.121 -1.703 1
1 370 . 18 1 1 A 35 35 HIS H H 35 8.022 8.230 -0.208 1
1 371 . 18 1 1 A 35 35 HIS HA H 35 4.544 4.813 -0.269 1
1 376 . 18 1 1 A 35 35 HIS C C 35 178.300 176.039 2.261 1
1 377 . 18 1 1 A 35 35 HIS CA C 35 57.706 55.856 1.850 1
1 378 . 18 1 1 A 35 35 HIS CB C 35 32.594 31.363 1.231 1
1 381 . 18 1 1 A 35 35 HIS N N 35 123.729 122.514 1.215 1
1 382 . 18 1 1 A 37 37 SER H H 37 10.111 7.566 2.545 1
1 383 . 18 1 1 A 37 37 SER HA H 37 4.339 4.096 0.243 1
1 386 . 18 1 1 A 37 37 SER C C 37 176.434 174.938 1.496 1
1 387 . 18 1 1 A 37 37 SER CA C 37 59.895 61.482 -1.587 1
1 388 . 18 1 1 A 37 37 SER CB C 37 63.665 63.808 -0.143 1
1 389 . 18 1 1 A 37 37 SER N N 37 119.788 116.376 3.412 1
1 390 . 18 1 1 A 38 38 GLY H H 38 8.136 8.055 0.081 1
1 391 . 18 1 1 A 38 38 GLY HA2 H 38 4.257 4.051 0.206 1
1 392 . 18 1 1 A 38 38 GLY HA3 H 38 3.981 4.076 -0.095 1
1 393 . 18 1 1 A 38 38 GLY C C 38 174.441 175.015 -0.574 1
1 394 . 18 1 1 A 38 38 GLY CA C 38 46.006 45.734 0.272 1
1 395 . 18 1 1 A 38 38 GLY N N 38 108.557 108.038 0.519 1
1 396 . 18 1 1 A 39 39 MET H H 39 8.180 8.426 -0.246 1
1 397 . 18 1 1 A 39 39 MET HA H 39 4.789 4.726 0.063 1
1 405 . 18 1 1 A 39 39 MET C C 39 177.404 175.553 1.851 1
1 406 . 18 1 1 A 39 39 MET CA C 39 55.889 55.273 0.616 1
1 407 . 18 1 1 A 39 39 MET CB C 39 34.033 34.404 -0.371 1
1 410 . 18 1 1 A 39 39 MET N N 39 113.829 117.119 -3.290 1
1 411 . 18 1 1 A 40 40 THR H H 40 7.174 8.145 -0.971 1
1 412 . 18 1 1 A 40 40 THR HA H 40 5.182 5.075 0.107 1
1 417 . 18 1 1 A 40 40 THR C C 40 172.981 172.910 0.071 1
1 418 . 18 1 1 A 40 40 THR CA C 40 59.559 59.701 -0.142 1
1 419 . 18 1 1 A 40 40 THR CB C 40 73.120 72.770 0.350 1
1 421 . 18 1 1 A 40 40 THR N N 40 108.160 109.392 -1.232 1
1 422 . 18 1 1 A 41 41 ALA H H 41 9.245 8.176 1.069 1
1 423 . 18 1 1 A 41 41 ALA HA H 41 4.932 4.889 0.043 1
1 427 . 18 1 1 A 41 41 ALA C C 41 175.635 176.145 -0.510 1
1 428 . 18 1 1 A 41 41 ALA CA C 41 50.417 51.544 -1.127 1
1 429 . 18 1 1 A 41 41 ALA CB C 41 22.600 23.060 -0.460 1
1 430 . 18 1 1 A 41 41 ALA N N 41 122.138 121.563 0.575 1
1 431 . 18 1 1 A 42 42 VAL H H 42 8.773 8.837 -0.064 1
1 432 . 18 1 1 A 42 42 VAL HA H 42 4.789 4.243 0.546 1
1 440 . 18 1 1 A 42 42 VAL C C 42 176.410 175.634 0.776 1
1 441 . 18 1 1 A 42 42 VAL CA C 42 62.083 63.022 -0.939 1
1 442 . 18 1 1 A 42 42 VAL CB C 42 32.776 31.310 1.466 1
1 445 . 18 1 1 A 42 42 VAL N N 42 120.320 121.733 -1.413 1
1 446 . 18 1 1 A 43 43 VAL H H 43 9.224 8.631 0.593 1
1 447 . 18 1 1 A 43 43 VAL HA H 43 5.013 4.913 0.100 1
1 455 . 18 1 1 A 43 43 VAL C C 43 172.532 173.637 -1.105 1
1 456 . 18 1 1 A 43 43 VAL CA C 43 57.812 58.814 -1.002 1
1 457 . 18 1 1 A 43 43 VAL CB C 43 34.280 34.659 -0.379 1
1 460 . 18 1 1 A 43 43 VAL N N 43 121.151 122.064 -0.913 1
1 461 . 18 1 1 A 44 44 LYS H H 44 8.645 8.505 0.140 1
1 462 . 18 1 1 A 44 44 LYS HA H 44 4.627 4.839 -0.212 1
1 471 . 18 1 1 A 44 44 LYS C C 44 177.419 176.070 1.349 1
1 472 . 18 1 1 A 44 44 LYS CA C 44 53.612 54.338 -0.726 1
1 473 . 18 1 1 A 44 44 LYS CB C 44 35.143 35.323 -0.180 1
1 477 . 18 1 1 A 44 44 LYS N N 44 121.425 122.770 -1.345 1
1 478 . 18 1 1 A 45 45 PHE H H 45 8.823 8.625 0.198 1
1 479 . 18 1 1 A 45 45 PHE HA H 45 4.505 4.876 -0.371 1
1 487 . 18 1 1 A 45 45 PHE C C 45 177.585 175.852 1.733 1
1 488 . 18 1 1 A 45 45 PHE CA C 45 59.841 58.658 1.183 1
1 489 . 18 1 1 A 45 45 PHE CB C 45 38.598 39.773 -1.175 1
1 495 . 18 1 1 A 45 45 PHE N N 45 128.232 125.459 2.773 1
1 496 . 18 1 1 A 46 46 THR H H 46 8.281 8.881 -0.600 1
1 497 . 18 1 1 A 46 46 THR HA H 46 3.738 4.402 -0.664 1
1 502 . 18 1 1 A 46 46 THR C C 46 176.410 175.326 1.084 1
1 503 . 18 1 1 A 46 46 THR CA C 46 65.930 63.816 2.114 1
1 504 . 18 1 1 A 46 46 THR CB C 46 68.743 69.260 -0.517 1
1 506 . 18 1 1 A 46 46 THR N N 46 120.729 117.697 3.032 1
1 507 . 18 1 1 A 47 47 ASP H H 47 9.166 8.255 0.911 1
1 508 . 18 1 1 A 47 47 ASP HA H 47 4.300 4.153 0.147 1
1 511 . 18 1 1 A 47 47 ASP C C 47 176.844 176.731 0.113 1
1 512 . 18 1 1 A 47 47 ASP CA C 47 57.283 56.929 0.354 1
1 513 . 18 1 1 A 47 47 ASP CB C 47 40.037 40.872 -0.835 1
1 514 . 18 1 1 A 47 47 ASP N N 47 120.635 121.889 -1.254 1
1 515 . 18 1 1 A 48 48 TYR H H 48 7.676 7.680 -0.004 1
1 516 . 18 1 1 A 48 48 TYR HA H 48 4.605 4.628 -0.023 1
1 523 . 18 1 1 A 48 48 TYR C C 48 177.343 176.134 1.209 1
1 524 . 18 1 1 A 48 48 TYR CA C 48 57.777 58.712 -0.935 1
1 525 . 18 1 1 A 48 48 TYR CB C 48 39.914 40.662 -0.748 1
1 530 . 18 1 1 A 48 48 TYR N N 48 114.763 114.252 0.511 1
1 531 . 18 1 1 A 49 49 GLY H H 49 8.065 8.302 -0.237 1
1 532 . 18 1 1 A 49 49 GLY HA2 H 49 4.023 4.019 0.004 1
1 533 . 18 1 1 A 49 49 GLY HA3 H 49 3.571 4.023 -0.452 1
1 534 . 18 1 1 A 49 49 GLY C C 49 172.707 174.247 -1.540 1
1 535 . 18 1 1 A 49 49 GLY CA C 49 46.165 45.312 0.853 1
1 536 . 18 1 1 A 49 49 GLY N N 49 107.679 106.899 0.780 1
1 537 . 18 1 1 A 50 50 ASN H H 50 8.836 8.110 0.726 1
1 538 . 18 1 1 A 50 50 ASN HA H 50 4.777 5.145 -0.368 1
1 543 . 18 1 1 A 50 50 ASN C C 50 173.696 173.759 -0.063 1
1 544 . 18 1 1 A 50 50 ASN CA C 50 52.747 51.620 1.127 1
1 545 . 18 1 1 A 50 50 ASN CB C 50 37.710 41.018 -3.308 1
1 546 . 18 1 1 A 50 50 ASN N N 50 114.795 116.746 -1.951 1
1 548 . 18 1 1 A 51 51 TYR H H 51 8.726 8.719 0.007 1
1 549 . 18 1 1 A 51 51 TYR HA H 51 5.696 5.067 0.629 1
1 556 . 18 1 1 A 51 51 TYR C C 51 176.871 175.514 1.357 1
1 557 . 18 1 1 A 51 51 TYR CA C 51 56.789 57.694 -0.905 1
1 558 . 18 1 1 A 51 51 TYR CB C 51 40.037 40.438 -0.401 1
1 563 . 18 1 1 A 51 51 TYR N N 51 120.703 121.647 -0.944 1
1 564 . 18 1 1 A 52 52 GLU H H 52 8.995 8.817 0.178 1
1 565 . 18 1 1 A 52 52 GLU HA H 52 4.981 4.941 0.040 1
1 570 . 18 1 1 A 52 52 GLU C C 52 174.629 174.923 -0.294 1
1 571 . 18 1 1 A 52 52 GLU CA C 52 54.070 55.604 -1.534 1
1 572 . 18 1 1 A 52 52 GLU CB C 52 34.814 33.937 0.877 1
1 574 . 18 1 1 A 52 52 GLU N N 52 118.929 121.323 -2.394 1
1 575 . 18 1 1 A 53 53 GLU H H 53 8.995 8.625 0.370 1
1 576 . 18 1 1 A 53 53 GLU HA H 53 5.175 4.584 0.591 1
1 581 . 18 1 1 A 53 53 GLU C C 53 176.301 175.354 0.947 1
1 582 . 18 1 1 A 53 53 GLU CA C 53 55.500 56.310 -0.810 1
1 583 . 18 1 1 A 53 53 GLU CB C 53 30.537 30.249 0.288 1
1 585 . 18 1 1 A 53 53 GLU N N 53 122.819 124.007 -1.188 1
1 586 . 18 1 1 A 54 54 VAL H H 54 9.375 8.237 1.138 1
1 587 . 18 1 1 A 54 54 VAL HA H 54 4.739 4.727 0.012 1
1 595 . 18 1 1 A 54 54 VAL C C 54 175.017 174.955 0.062 1
1 596 . 18 1 1 A 54 54 VAL CA C 54 59.647 60.640 -0.993 1
1 597 . 18 1 1 A 54 54 VAL CB C 54 36.171 35.947 0.224 1
1 600 . 18 1 1 A 54 54 VAL N N 54 125.177 127.037 -1.860 1
1 601 . 18 1 1 A 55 55 LEU H H 55 8.744 8.490 0.254 1
1 602 . 18 1 1 A 55 55 LEU HA H 55 4.500 4.493 0.007 1
1 612 . 18 1 1 A 55 55 LEU C C 55 179.440 178.343 1.097 1
1 613 . 18 1 1 A 55 55 LEU CA C 55 55.495 55.011 0.484 1
1 614 . 18 1 1 A 55 55 LEU CB C 55 42.628 41.997 0.631 1
1 618 . 18 1 1 A 55 55 LEU N N 55 123.920 125.580 -1.660 1
1 619 . 18 1 1 A 56 56 LEU H H 56 8.324 8.544 -0.220 1
1 620 . 18 1 1 A 56 56 LEU HA H 56 3.855 4.153 -0.298 1
1 630 . 18 1 1 A 56 56 LEU C C 56 178.810 178.169 0.641 1
1 631 . 18 1 1 A 56 56 LEU CA C 56 57.883 57.426 0.457 1
1 632 . 18 1 1 A 56 56 LEU CB C 56 41.330 41.829 -0.499 1
1 636 . 18 1 1 A 56 56 LEU N N 56 123.383 123.017 0.366 1
1 637 . 18 1 1 A 57 57 SER H H 57 7.886 7.981 -0.095 1
1 638 . 18 1 1 A 57 57 SER HA H 57 4.364 4.519 -0.155 1
1 641 . 18 1 1 A 57 57 SER C C 57 174.944 175.290 -0.346 1
1 642 . 18 1 1 A 57 57 SER CA C 57 59.859 59.797 0.062 1
1 643 . 18 1 1 A 57 57 SER CB C 57 62.509 63.165 -0.656 1
1 644 . 18 1 1 A 57 57 SER N N 57 109.927 114.221 -4.294 1
1 645 . 18 1 1 A 58 58 ASN H H 58 8.085 8.523 -0.438 1
1 646 . 18 1 1 A 58 58 ASN HA H 58 5.275 5.008 0.267 1
1 651 . 18 1 1 A 58 58 ASN C C 58 172.402 173.561 -1.159 1
1 652 . 18 1 1 A 58 58 ASN CA C 58 52.535 53.130 -0.595 1
1 653 . 18 1 1 A 58 58 ASN CB C 58 39.585 39.460 0.125 1
1 654 . 18 1 1 A 58 58 ASN N N 58 120.812 117.455 3.357 1
1 656 . 18 1 1 A 59 59 ILE H H 59 7.291 7.646 -0.355 1
1 657 . 18 1 1 A 59 59 ILE HA H 59 5.125 5.120 0.005 1
1 667 . 18 1 1 A 59 59 ILE C C 59 174.980 174.712 0.268 1
1 668 . 18 1 1 A 59 59 ILE CA C 59 60.659 60.412 0.247 1
1 669 . 18 1 1 A 59 59 ILE CB C 59 39.996 39.247 0.749 1
1 673 . 18 1 1 A 59 59 ILE N N 59 115.444 121.014 -5.570 1
1 674 . 18 1 1 A 60 60 LYS H H 60 9.366 8.880 0.486 1
1 675 . 18 1 1 A 60 60 LYS HA H 60 5.300 4.941 0.359 1
1 684 . 18 1 1 A 60 60 LYS C C 60 173.381 174.503 -1.122 1
1 685 . 18 1 1 A 60 60 LYS CA C 60 52.977 52.772 0.205 1
1 686 . 18 1 1 A 60 60 LYS CB C 60 34.814 34.026 0.788 1
1 690 . 18 1 1 A 60 60 LYS N N 60 122.819 126.934 -4.115 1
1 691 . 18 1 1 A 61 61 PRO HA H 61 5.027 5.106 -0.079 1
1 698 . 18 1 1 A 61 61 PRO C C 61 176.256 176.705 -0.449 1
1 699 . 18 1 1 A 61 61 PRO CA C 61 62.754 62.904 -0.150 1
1 700 . 18 1 1 A 61 61 PRO CB C 61 32.594 31.831 0.763 1
1 703 . 18 1 1 A 62 62 VAL H H 62 8.525 8.453 0.072 1
1 704 . 18 1 1 A 62 62 VAL HA H 62 3.969 4.472 -0.503 1
1 712 . 18 1 1 A 62 62 VAL C C 62 176.192 175.544 0.648 1
1 713 . 18 1 1 A 62 62 VAL CA C 62 62.895 61.969 0.926 1
1 714 . 18 1 1 A 62 62 VAL CB C 62 32.059 33.158 -1.099 1
1 717 . 18 1 1 A 62 62 VAL N N 62 117.807 122.997 -5.190 1
1 718 . 18 1 1 A 63 63 GLN H H 63 7.815 8.410 -0.595 1
1 719 . 18 1 1 A 63 63 GLN HA H 63 4.415 4.514 -0.099 1
1 726 . 18 1 1 A 63 63 GLN C C 63 175.716 175.693 0.023 1
1 727 . 18 1 1 A 63 63 GLN CA C 63 55.535 56.299 -0.764 1
1 728 . 18 1 1 A 63 63 GLN CB C 63 29.468 28.903 0.565 1
1 730 . 18 1 1 A 63 63 GLN N N 63 122.188 126.123 -3.935 1
1 732 . 18 1 1 A 64 64 THR H H 64 8.185 9.005 -0.820 1
1 733 . 18 1 1 A 64 64 THR HA H 64 4.154 4.538 -0.384 1
1 738 . 18 1 1 A 64 64 THR C C 64 174.616 174.475 0.141 1
1 739 . 18 1 1 A 64 64 THR CA C 64 62.277 62.491 -0.214 1
1 740 . 18 1 1 A 64 64 THR CB C 64 69.565 69.883 -0.318 1
1 742 . 18 1 1 A 64 64 THR N N 64 116.169 117.618 -1.449 1
1 743 . 18 1 1 A 65 65 GLU H H 65 8.460 8.280 0.180 1
1 744 . 18 1 1 A 65 65 GLU HA H 65 4.174 4.682 -0.508 1
1 749 . 18 1 1 A 65 65 GLU C C 65 176.216 175.815 0.401 1
1 750 . 18 1 1 A 65 65 GLU CA C 65 56.647 55.043 1.604 1
1 751 . 18 1 1 A 65 65 GLU CB C 65 30.044 29.500 0.544 1
1 753 . 18 1 1 A 65 65 GLU N N 65 123.014 119.498 3.516 1
1 754 . 18 1 1 A 66 66 ALA H H 66 8.245 8.778 -0.533 1
1 755 . 18 1 1 A 66 66 ALA HA H 66 4.205 4.485 -0.280 1
1 759 . 18 1 1 A 66 66 ALA C C 66 177.258 177.126 0.132 1
1 760 . 18 1 1 A 66 66 ALA CA C 66 52.730 51.314 1.416 1
1 761 . 18 1 1 A 66 66 ALA CB C 66 19.064 18.220 0.844 1
1 762 . 18 1 1 A 66 66 ALA N N 66 124.251 126.464 -2.213 1
1 763 . 18 1 1 A 67 67 TRP H H 67 7.875 7.744 0.131 1
1 764 . 18 1 1 A 67 67 TRP HA H 67 4.609 4.584 0.025 1
1 772 . 18 1 1 A 67 67 TRP C C 67 175.889 176.291 -0.402 1
1 773 . 18 1 1 A 67 67 TRP CA C 67 57.106 57.290 -0.184 1
1 774 . 18 1 1 A 67 67 TRP CB C 67 29.427 29.805 -0.378 1
1 779 . 18 1 1 A 67 67 TRP N N 67 119.568 118.475 1.093 1
1 781 . 18 1 1 A 68 68 VAL H H 68 7.815 8.451 -0.636 1
1 782 . 18 1 1 A 68 68 VAL HA H 68 3.917 4.551 -0.634 1
1 790 . 18 1 1 A 68 68 VAL C C 68 175.368 175.579 -0.211 1
1 791 . 18 1 1 A 68 68 VAL CA C 68 62.189 60.658 1.531 1
1 792 . 18 1 1 A 68 68 VAL CB C 68 32.981 33.420 -0.439 1
1 795 . 18 1 1 A 68 68 VAL N N 68 122.485 120.067 2.418 1
1 796 . 18 1 1 A 69 69 ARG H H 69 8.084 8.860 -0.776 1
1 797 . 18 1 1 A 69 69 ARG HA H 69 4.107 4.391 -0.284 1
1 804 . 18 1 1 A 69 69 ARG C C 69 175.465 175.629 -0.164 1
1 805 . 18 1 1 A 69 69 ARG CA C 69 55.841 57.416 -1.575 1
1 806 . 18 1 1 A 69 69 ARG CB C 69 30.949 31.352 -0.403 1
1 809 . 18 1 1 A 69 69 ARG N N 69 124.540 125.699 -1.159 1
1 810 . 18 1 1 A 70 70 ASP H H 70 8.365 7.728 0.637 1
1 811 . 18 1 1 A 70 70 ASP HA H 70 4.780 4.860 -0.080 1
1 814 . 18 1 1 A 70 70 ASP C C 70 175.319 174.058 1.261 1
1 815 . 18 1 1 A 70 70 ASP CA C 70 51.882 51.904 -0.022 1
1 816 . 18 1 1 A 70 70 ASP CB C 70 41.312 40.851 0.461 1
1 817 . 18 1 1 A 70 70 ASP N N 70 123.498 118.226 5.272 1
1 818 . 18 1 1 A 71 71 PRO HA H 71 4.355 4.565 -0.210 1
1 825 . 18 1 1 A 71 71 PRO C C 71 177.091 176.257 0.834 1
1 826 . 18 1 1 A 71 71 PRO CA C 71 63.777 62.336 1.441 1
1 827 . 18 1 1 A 71 71 PRO CB C 71 32.118 33.489 -1.371 1
1 830 . 18 1 1 A 72 72 ASN H H 72 8.521 8.894 -0.373 1
1 831 . 18 1 1 A 72 72 ASN HA H 72 4.764 4.781 -0.017 1
1 836 . 18 1 1 A 72 72 ASN C C 72 175.312 175.838 -0.526 1
1 837 . 18 1 1 A 72 72 ASN CA C 72 53.471 54.912 -1.441 1
1 838 . 18 1 1 A 72 72 ASN CB C 72 38.869 39.039 -0.170 1
1 839 . 18 1 1 A 72 72 ASN N N 72 117.256 118.226 -0.970 1
1 841 . 18 1 1 A 73 73 SER H H 73 7.937 7.799 0.138 1
1 842 . 18 1 1 A 73 73 SER HA H 73 4.429 4.296 0.133 1
1 845 . 18 1 1 A 73 73 SER C C 73 174.532 174.334 0.198 1
1 846 . 18 1 1 A 73 73 SER CA C 73 58.642 60.238 -1.596 1
1 847 . 18 1 1 A 73 73 SER CB C 73 64.137 63.670 0.467 1
1 848 . 18 1 1 A 73 73 SER N N 73 115.503 114.725 0.778 1
1 849 . 18 1 1 A 74 74 GLY H H 74 8.206 8.398 -0.192 1
1 850 . 18 1 1 A 74 74 GLY HA2 H 74 4.071 4.032 0.039 1
1 851 . 18 1 1 A 74 74 GLY HA3 H 74 4.123 4.033 0.090 1
1 852 . 18 1 1 A 74 74 GLY C C 74 171.781 173.750 -1.969 1
1 853 . 18 1 1 A 74 74 GLY CA C 74 44.682 45.295 -0.613 1
1 854 . 18 1 1 A 74 74 GLY N N 74 110.659 113.069 -2.410 1
1 855 . 18 1 1 A 75 75 PRO HA H 75 4.446 4.588 -0.142 1
1 862 . 18 1 1 A 75 75 PRO C C 75 177.407 175.937 1.470 1
1 863 . 18 1 1 A 75 75 PRO CA C 75 63.212 62.714 0.498 1
1 864 . 18 1 1 A 75 75 PRO CB C 75 32.182 32.555 -0.373 1
1 867 . 18 1 1 A 76 76 SER H H 76 8.504 8.531 -0.027 1
1 868 . 18 1 1 A 76 76 SER HA H 76 4.489 5.192 -0.703 1
1 871 . 18 1 1 A 76 76 SER C C 76 174.677 173.383 1.294 1
1 872 . 18 1 1 A 76 76 SER CA C 76 58.359 56.756 1.603 1
1 873 . 18 1 1 A 76 76 SER CB C 76 64.013 66.211 -2.198 1
1 874 . 18 1 1 A 76 76 SER N N 76 116.388 114.469 1.919 1
1 875 . 18 1 1 A 77 77 SER H H 77 8.312 8.733 -0.421 1
1 876 . 18 1 1 A 77 77 SER C C 77 173.914 173.842 0.072 1
1 877 . 18 1 1 A 77 77 SER CA C 77 58.342 57.703 0.639 1
1 878 . 18 1 1 A 77 77 SER CB C 77 64.013 66.383 -2.370 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.892 3.794 0.098 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.892 3.796 0.096 1
1 3 . 19 1 1 A 7 7 GLY C C 7 173.405 173.523 -0.118 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.070 47.462 -2.392 1
1 5 . 19 1 1 A 8 8 LYS H H 8 7.913 8.444 -0.531 1
1 6 . 19 1 1 A 8 8 LYS HA H 8 4.031 4.762 -0.731 1
1 15 . 19 1 1 A 8 8 LYS C C 8 175.501 174.248 1.253 1
1 16 . 19 1 1 A 8 8 LYS CA C 8 55.765 54.893 0.872 1
1 17 . 19 1 1 A 8 8 LYS CB C 8 33.046 35.105 -2.059 1
1 21 . 19 1 1 A 8 8 LYS N N 8 121.849 124.821 -2.972 1
1 22 . 19 1 1 A 9 9 VAL H H 9 8.175 8.612 -0.437 1
1 23 . 19 1 1 A 9 9 VAL HA H 9 4.082 4.521 -0.439 1
1 31 . 19 1 1 A 9 9 VAL C C 9 175.680 174.753 0.927 1
1 32 . 19 1 1 A 9 9 VAL CA C 9 61.571 60.615 0.956 1
1 33 . 19 1 1 A 9 9 VAL CB C 9 32.224 33.501 -1.277 1
1 36 . 19 1 1 A 9 9 VAL N N 9 125.536 125.752 -0.216 1
1 37 . 19 1 1 A 10 10 TRP H H 10 8.125 9.041 -0.916 1
1 38 . 19 1 1 A 10 10 TRP HA H 10 4.667 5.106 -0.439 1
1 47 . 19 1 1 A 10 10 TRP C C 10 174.859 176.105 -1.246 1
1 48 . 19 1 1 A 10 10 TRP CA C 10 57.088 57.039 0.049 1
1 49 . 19 1 1 A 10 10 TRP CB C 10 31.730 31.717 0.013 1
1 55 . 19 1 1 A 10 10 TRP N N 10 127.817 129.797 -1.980 1
1 57 . 19 1 1 A 11 11 LYS H H 11 9.090 9.337 -0.247 1
1 58 . 19 1 1 A 11 11 LYS HA H 11 4.856 5.022 -0.166 1
1 67 . 19 1 1 A 11 11 LYS C C 11 172.968 173.534 -0.566 1
1 68 . 19 1 1 A 11 11 LYS CA C 11 53.330 54.130 -0.800 1
1 69 . 19 1 1 A 11 11 LYS CB C 11 33.827 35.862 -2.035 1
1 73 . 19 1 1 A 11 11 LYS N N 11 120.688 118.520 2.168 1
1 74 . 19 1 1 A 12 12 PRO HA H 12 3.894 4.398 -0.504 1
1 81 . 19 1 1 A 12 12 PRO C C 12 177.287 177.599 -0.312 1
1 82 . 19 1 1 A 12 12 PRO CA C 12 63.812 63.778 0.034 1
1 83 . 19 1 1 A 12 12 PRO CB C 12 31.278 31.293 -0.015 1
1 86 . 19 1 1 A 13 13 GLY H H 13 9.494 8.749 0.745 1
1 87 . 19 1 1 A 13 13 GLY HA2 H 13 4.431 4.010 0.421 1
1 88 . 19 1 1 A 13 13 GLY HA3 H 13 3.746 4.016 -0.270 1
1 89 . 19 1 1 A 13 13 GLY C C 13 174.798 173.473 1.325 1
1 90 . 19 1 1 A 13 13 GLY CA C 13 44.559 45.246 -0.687 1
1 91 . 19 1 1 A 13 13 GLY N N 13 114.764 112.719 2.045 1
1 92 . 19 1 1 A 14 14 ASP H H 14 8.005 8.009 -0.004 1
1 93 . 19 1 1 A 14 14 ASP HA H 14 4.665 4.887 -0.222 1
1 96 . 19 1 1 A 14 14 ASP C C 14 176.143 175.582 0.561 1
1 97 . 19 1 1 A 14 14 ASP CA C 14 55.553 53.339 2.214 1
1 98 . 19 1 1 A 14 14 ASP CB C 14 41.600 43.429 -1.829 1
1 99 . 19 1 1 A 14 14 ASP N N 14 121.257 120.563 0.694 1
1 100 . 19 1 1 A 15 15 GLU H H 15 8.645 8.742 -0.097 1
1 101 . 19 1 1 A 15 15 GLU HA H 15 4.852 4.532 0.320 1
1 106 . 19 1 1 A 15 15 GLU C C 15 175.679 176.279 -0.600 1
1 107 . 19 1 1 A 15 15 GLU CA C 15 55.783 56.663 -0.880 1
1 108 . 19 1 1 A 15 15 GLU CB C 15 31.295 29.795 1.500 1
1 110 . 19 1 1 A 15 15 GLU N N 15 121.409 125.394 -3.985 1
1 111 . 19 1 1 A 16 16 CYS H H 16 8.735 9.026 -0.291 1
1 112 . 19 1 1 A 16 16 CYS HA H 16 5.086 5.061 0.025 1
1 115 . 19 1 1 A 16 16 CYS C C 16 172.636 172.759 -0.123 1
1 116 . 19 1 1 A 16 16 CYS CA C 16 56.418 56.475 -0.057 1
1 117 . 19 1 1 A 16 16 CYS CB C 16 32.553 30.852 1.701 1
1 118 . 19 1 1 A 16 16 CYS N N 16 116.207 121.383 -5.176 1
1 119 . 19 1 1 A 17 17 PHE H H 17 9.125 9.171 -0.046 1
1 120 . 19 1 1 A 17 17 PHE HA H 17 5.235 5.408 -0.173 1
1 128 . 19 1 1 A 17 17 PHE C C 17 174.823 174.602 0.221 1
1 129 . 19 1 1 A 17 17 PHE CA C 17 57.547 56.960 0.587 1
1 130 . 19 1 1 A 17 17 PHE CB C 17 42.053 40.242 1.811 1
1 136 . 19 1 1 A 17 17 PHE N N 17 116.836 120.498 -3.662 1
1 137 . 19 1 1 A 18 18 ALA H H 18 9.373 8.469 0.904 1
1 138 . 19 1 1 A 18 18 ALA HA H 18 5.552 5.192 0.360 1
1 142 . 19 1 1 A 18 18 ALA C C 18 175.841 177.206 -1.365 1
1 143 . 19 1 1 A 18 18 ALA CA C 18 50.147 50.272 -0.125 1
1 144 . 19 1 1 A 18 18 ALA CB C 18 23.798 21.056 2.742 1
1 145 . 19 1 1 A 18 18 ALA N N 18 122.751 127.394 -4.643 1
1 146 . 19 1 1 A 19 19 LEU H H 19 7.487 8.367 -0.880 1
1 147 . 19 1 1 A 19 19 LEU HA H 19 3.514 4.667 -1.153 1
1 157 . 19 1 1 A 19 19 LEU C C 19 175.598 176.360 -0.762 1
1 158 . 19 1 1 A 19 19 LEU CA C 19 55.165 56.096 -0.931 1
1 159 . 19 1 1 A 19 19 LEU CB C 19 43.656 42.773 0.883 1
1 163 . 19 1 1 A 19 19 LEU N N 19 123.529 127.473 -3.944 1
1 164 . 19 1 1 A 20 20 TYR H H 20 9.405 8.736 0.669 1
1 165 . 19 1 1 A 20 20 TYR HA H 20 4.939 4.964 -0.025 1
1 172 . 19 1 1 A 20 20 TYR C C 20 176.593 176.711 -0.118 1
1 173 . 19 1 1 A 20 20 TYR CA C 20 55.201 59.027 -3.826 1
1 174 . 19 1 1 A 20 20 TYR CB C 20 37.899 39.493 -1.594 1
1 179 . 19 1 1 A 20 20 TYR N N 20 132.207 126.147 6.060 1
1 180 . 19 1 1 A 21 21 TRP H H 21 8.475 7.569 0.906 1
1 181 . 19 1 1 A 21 21 TRP HA H 21 4.087 4.746 -0.659 1
1 190 . 19 1 1 A 21 21 TRP C C 21 177.283 176.919 0.364 1
1 191 . 19 1 1 A 21 21 TRP CA C 21 58.695 56.727 1.968 1
1 192 . 19 1 1 A 21 21 TRP CB C 21 28.111 30.399 -2.288 1
1 198 . 19 1 1 A 21 21 TRP N N 21 128.228 124.858 3.370 1
1 200 . 19 1 1 A 22 22 GLU H H 22 4.195 7.258 -3.063 1
1 201 . 19 1 1 A 22 22 GLU HA H 22 2.895 4.187 -1.292 1
1 206 . 19 1 1 A 22 22 GLU C C 22 176.342 176.023 0.319 1
1 207 . 19 1 1 A 22 22 GLU CA C 22 59.753 55.775 3.978 1
1 208 . 19 1 1 A 22 22 GLU CB C 22 29.468 30.531 -1.063 1
1 210 . 19 1 1 A 22 22 GLU N N 22 117.591 118.550 -0.959 1
1 211 . 19 1 1 A 23 23 ASP H H 23 6.695 7.957 -1.262 1
1 212 . 19 1 1 A 23 23 ASP HA H 23 4.554 4.925 -0.371 1
1 215 . 19 1 1 A 23 23 ASP C C 23 176.047 176.059 -0.012 1
1 216 . 19 1 1 A 23 23 ASP CA C 23 51.970 54.982 -3.012 1
1 217 . 19 1 1 A 23 23 ASP CB C 23 41.353 43.526 -2.173 1
1 218 . 19 1 1 A 23 23 ASP N N 23 112.180 120.143 -7.963 1
1 219 . 19 1 1 A 24 24 ASN H H 24 8.248 8.027 0.221 1
1 220 . 19 1 1 A 24 24 ASN HA H 24 4.055 4.367 -0.312 1
1 225 . 19 1 1 A 24 24 ASN C C 24 173.702 173.624 0.078 1
1 226 . 19 1 1 A 24 24 ASN CA C 24 54.794 54.376 0.418 1
1 227 . 19 1 1 A 24 24 ASN CB C 24 37.940 36.583 1.357 1
1 228 . 19 1 1 A 24 24 ASN N N 24 116.693 116.385 0.308 1
1 230 . 19 1 1 A 25 25 LYS H H 25 7.604 7.561 0.043 1
1 231 . 19 1 1 A 25 25 LYS HA H 25 4.502 4.509 -0.007 1
1 240 . 19 1 1 A 25 25 LYS C C 25 174.726 175.139 -0.413 1
1 241 . 19 1 1 A 25 25 LYS CA C 25 54.565 54.285 0.280 1
1 242 . 19 1 1 A 25 25 LYS CB C 25 35.143 34.316 0.827 1
1 246 . 19 1 1 A 25 25 LYS N N 25 116.646 117.611 -0.965 1
1 247 . 19 1 1 A 26 26 PHE H H 26 8.361 8.534 -0.173 1
1 248 . 19 1 1 A 26 26 PHE HA H 26 5.005 4.882 0.123 1
1 256 . 19 1 1 A 26 26 PHE C C 26 176.228 175.372 0.856 1
1 257 . 19 1 1 A 26 26 PHE CA C 26 58.236 57.546 0.690 1
1 258 . 19 1 1 A 26 26 PHE CB C 26 41.148 39.630 1.518 1
1 264 . 19 1 1 A 26 26 PHE N N 26 118.446 119.899 -1.453 1
1 265 . 19 1 1 A 27 27 TYR H H 27 8.851 9.160 -0.309 1
1 266 . 19 1 1 A 27 27 TYR HA H 27 5.045 5.291 -0.246 1
1 273 . 19 1 1 A 27 27 TYR C C 27 175.380 175.662 -0.282 1
1 274 . 19 1 1 A 27 27 TYR CA C 27 56.594 56.577 0.017 1
1 275 . 19 1 1 A 27 27 TYR CB C 27 43.856 42.249 1.607 1
1 280 . 19 1 1 A 27 27 TYR N N 27 118.823 122.712 -3.889 1
1 281 . 19 1 1 A 28 28 ARG H H 28 9.026 8.512 0.514 1
1 282 . 19 1 1 A 28 28 ARG HA H 28 4.202 3.169 1.033 1
1 290 . 19 1 1 A 28 28 ARG C C 28 175.789 176.174 -0.385 1
1 291 . 19 1 1 A 28 28 ARG CA C 28 57.142 56.953 0.189 1
1 292 . 19 1 1 A 28 28 ARG CB C 28 30.291 30.625 -0.334 1
1 295 . 19 1 1 A 28 28 ARG N N 28 122.262 123.296 -1.034 1
1 297 . 19 1 1 A 29 29 ALA H H 29 9.157 8.307 0.850 1
1 298 . 19 1 1 A 29 29 ALA HA H 29 5.098 5.031 0.067 1
1 302 . 19 1 1 A 29 29 ALA C C 29 175.247 175.120 0.127 1
1 303 . 19 1 1 A 29 29 ALA CA C 29 51.188 51.280 -0.092 1
1 304 . 19 1 1 A 29 29 ALA CB C 29 23.153 22.730 0.423 1
1 305 . 19 1 1 A 29 29 ALA N N 29 126.768 123.971 2.797 1
1 306 . 19 1 1 A 30 30 GLU H H 30 8.167 8.753 -0.586 1
1 307 . 19 1 1 A 30 30 GLU HA H 30 5.085 4.788 0.297 1
1 312 . 19 1 1 A 30 30 GLU C C 30 176.265 175.038 1.227 1
1 313 . 19 1 1 A 30 30 GLU CA C 30 53.948 55.556 -1.608 1
1 314 . 19 1 1 A 30 30 GLU CB C 30 33.622 33.315 0.307 1
1 316 . 19 1 1 A 30 30 GLU N N 30 118.036 118.139 -0.103 1
1 317 . 19 1 1 A 31 31 VAL H H 31 8.961 8.621 0.340 1
1 318 . 19 1 1 A 31 31 VAL HA H 31 3.545 3.869 -0.324 1
1 326 . 19 1 1 A 31 31 VAL C C 31 175.369 175.805 -0.436 1
1 327 . 19 1 1 A 31 31 VAL CA C 31 64.571 63.516 1.055 1
1 328 . 19 1 1 A 31 31 VAL CB C 31 31.678 31.712 -0.034 1
1 331 . 19 1 1 A 31 31 VAL N N 31 124.010 127.349 -3.339 1
1 332 . 19 1 1 A 32 32 GLU H H 32 9.483 9.273 0.210 1
1 333 . 19 1 1 A 32 32 GLU HA H 32 4.627 4.381 0.246 1
1 338 . 19 1 1 A 32 32 GLU C C 32 175.695 176.051 -0.356 1
1 339 . 19 1 1 A 32 32 GLU CA C 32 56.841 58.026 -1.185 1
1 340 . 19 1 1 A 32 32 GLU CB C 32 30.661 30.804 -0.143 1
1 342 . 19 1 1 A 32 32 GLU N N 32 130.912 129.362 1.550 1
1 343 . 19 1 1 A 33 33 ALA H H 33 7.838 7.733 0.105 1
1 344 . 19 1 1 A 33 33 ALA HA H 33 4.456 4.733 -0.277 1
1 348 . 19 1 1 A 33 33 ALA C C 33 174.956 175.985 -1.029 1
1 349 . 19 1 1 A 33 33 ALA CA C 33 51.777 51.719 0.058 1
1 350 . 19 1 1 A 33 33 ALA CB C 33 22.189 22.710 -0.521 1
1 351 . 19 1 1 A 33 33 ALA N N 33 117.714 119.273 -1.559 1
1 352 . 19 1 1 A 34 34 LEU H H 34 8.954 8.732 0.222 1
1 353 . 19 1 1 A 34 34 LEU HA H 34 4.702 4.600 0.102 1
1 363 . 19 1 1 A 34 34 LEU C C 34 176.325 176.804 -0.479 1
1 364 . 19 1 1 A 34 34 LEU CA C 34 53.559 54.423 -0.864 1
1 365 . 19 1 1 A 34 34 LEU CB C 34 42.381 42.730 -0.349 1
1 369 . 19 1 1 A 34 34 LEU N N 34 122.418 123.063 -0.645 1
1 370 . 19 1 1 A 35 35 HIS H H 35 8.022 8.652 -0.630 1
1 371 . 19 1 1 A 35 35 HIS HA H 35 4.544 4.864 -0.320 1
1 376 . 19 1 1 A 35 35 HIS C C 35 178.300 175.777 2.523 1
1 377 . 19 1 1 A 35 35 HIS CA C 35 57.706 55.746 1.960 1
1 378 . 19 1 1 A 35 35 HIS CB C 35 32.594 31.384 1.210 1
1 381 . 19 1 1 A 35 35 HIS N N 35 123.729 121.779 1.950 1
1 382 . 19 1 1 A 37 37 SER H H 37 10.111 7.453 2.658 1
1 383 . 19 1 1 A 37 37 SER HA H 37 4.339 4.154 0.185 1
1 386 . 19 1 1 A 37 37 SER C C 37 176.434 174.931 1.503 1
1 387 . 19 1 1 A 37 37 SER CA C 37 59.895 60.910 -1.015 1
1 388 . 19 1 1 A 37 37 SER CB C 37 63.665 63.717 -0.052 1
1 389 . 19 1 1 A 37 37 SER N N 37 119.788 115.818 3.970 1
1 390 . 19 1 1 A 38 38 GLY H H 38 8.136 7.995 0.141 1
1 391 . 19 1 1 A 38 38 GLY HA2 H 38 4.257 4.051 0.206 1
1 392 . 19 1 1 A 38 38 GLY HA3 H 38 3.981 4.077 -0.096 1
1 393 . 19 1 1 A 38 38 GLY C C 38 174.441 174.456 -0.015 1
1 394 . 19 1 1 A 38 38 GLY CA C 38 46.006 45.888 0.118 1
1 395 . 19 1 1 A 38 38 GLY N N 38 108.557 108.172 0.385 1
1 396 . 19 1 1 A 39 39 MET H H 39 8.180 8.292 -0.112 1
1 397 . 19 1 1 A 39 39 MET HA H 39 4.789 4.725 0.064 1
1 405 . 19 1 1 A 39 39 MET C C 39 177.404 176.054 1.350 1
1 406 . 19 1 1 A 39 39 MET CA C 39 55.889 56.443 -0.554 1
1 407 . 19 1 1 A 39 39 MET CB C 39 34.033 35.270 -1.237 1
1 410 . 19 1 1 A 39 39 MET N N 39 113.829 116.288 -2.459 1
1 411 . 19 1 1 A 40 40 THR H H 40 7.174 8.135 -0.961 1
1 412 . 19 1 1 A 40 40 THR HA H 40 5.182 5.031 0.151 1
1 417 . 19 1 1 A 40 40 THR C C 40 172.981 173.605 -0.624 1
1 418 . 19 1 1 A 40 40 THR CA C 40 59.559 60.017 -0.458 1
1 419 . 19 1 1 A 40 40 THR CB C 40 73.120 71.499 1.621 1
1 421 . 19 1 1 A 40 40 THR N N 40 108.160 109.280 -1.120 1
1 422 . 19 1 1 A 41 41 ALA H H 41 9.245 8.343 0.902 1
1 423 . 19 1 1 A 41 41 ALA HA H 41 4.932 4.875 0.057 1
1 427 . 19 1 1 A 41 41 ALA C C 41 175.635 176.007 -0.372 1
1 428 . 19 1 1 A 41 41 ALA CA C 41 50.417 51.637 -1.220 1
1 429 . 19 1 1 A 41 41 ALA CB C 41 22.600 22.960 -0.360 1
1 430 . 19 1 1 A 41 41 ALA N N 41 122.138 121.794 0.344 1
1 431 . 19 1 1 A 42 42 VAL H H 42 8.773 8.675 0.098 1
1 432 . 19 1 1 A 42 42 VAL HA H 42 4.789 4.268 0.521 1
1 440 . 19 1 1 A 42 42 VAL C C 42 176.410 175.700 0.710 1
1 441 . 19 1 1 A 42 42 VAL CA C 42 62.083 63.081 -0.998 1
1 442 . 19 1 1 A 42 42 VAL CB C 42 32.776 31.243 1.533 1
1 445 . 19 1 1 A 42 42 VAL N N 42 120.320 122.280 -1.960 1
1 446 . 19 1 1 A 43 43 VAL H H 43 9.224 8.868 0.356 1
1 447 . 19 1 1 A 43 43 VAL HA H 43 5.013 4.996 0.017 1
1 455 . 19 1 1 A 43 43 VAL C C 43 172.532 173.651 -1.119 1
1 456 . 19 1 1 A 43 43 VAL CA C 43 57.812 58.684 -0.872 1
1 457 . 19 1 1 A 43 43 VAL CB C 43 34.280 34.778 -0.498 1
1 460 . 19 1 1 A 43 43 VAL N N 43 121.151 122.078 -0.927 1
1 461 . 19 1 1 A 44 44 LYS H H 44 8.645 8.509 0.136 1
1 462 . 19 1 1 A 44 44 LYS HA H 44 4.627 5.210 -0.583 1
1 471 . 19 1 1 A 44 44 LYS C C 44 177.419 175.992 1.427 1
1 472 . 19 1 1 A 44 44 LYS CA C 44 53.612 54.197 -0.585 1
1 473 . 19 1 1 A 44 44 LYS CB C 44 35.143 35.581 -0.438 1
1 477 . 19 1 1 A 44 44 LYS N N 44 121.425 122.032 -0.607 1
1 478 . 19 1 1 A 45 45 PHE H H 45 8.823 9.105 -0.282 1
1 479 . 19 1 1 A 45 45 PHE HA H 45 4.505 4.836 -0.331 1
1 487 . 19 1 1 A 45 45 PHE C C 45 177.585 175.822 1.763 1
1 488 . 19 1 1 A 45 45 PHE CA C 45 59.841 58.717 1.124 1
1 489 . 19 1 1 A 45 45 PHE CB C 45 38.598 39.670 -1.072 1
1 495 . 19 1 1 A 45 45 PHE N N 45 128.232 125.384 2.848 1
1 496 . 19 1 1 A 46 46 THR H H 46 8.281 8.748 -0.467 1
1 497 . 19 1 1 A 46 46 THR HA H 46 3.738 4.316 -0.578 1
1 502 . 19 1 1 A 46 46 THR C C 46 176.410 175.736 0.674 1
1 503 . 19 1 1 A 46 46 THR CA C 46 65.930 64.273 1.657 1
1 504 . 19 1 1 A 46 46 THR CB C 46 68.743 69.492 -0.749 1
1 506 . 19 1 1 A 46 46 THR N N 46 120.729 117.700 3.029 1
1 507 . 19 1 1 A 47 47 ASP H H 47 9.166 8.455 0.711 1
1 508 . 19 1 1 A 47 47 ASP HA H 47 4.300 4.062 0.238 1
1 511 . 19 1 1 A 47 47 ASP C C 47 176.844 177.016 -0.172 1
1 512 . 19 1 1 A 47 47 ASP CA C 47 57.283 56.996 0.287 1
1 513 . 19 1 1 A 47 47 ASP CB C 47 40.037 40.105 -0.068 1
1 514 . 19 1 1 A 47 47 ASP N N 47 120.635 120.495 0.140 1
1 515 . 19 1 1 A 48 48 TYR H H 48 7.676 7.425 0.251 1
1 516 . 19 1 1 A 48 48 TYR HA H 48 4.605 4.634 -0.029 1
1 523 . 19 1 1 A 48 48 TYR C C 48 177.343 176.266 1.077 1
1 524 . 19 1 1 A 48 48 TYR CA C 48 57.777 58.643 -0.866 1
1 525 . 19 1 1 A 48 48 TYR CB C 48 39.914 40.778 -0.864 1
1 530 . 19 1 1 A 48 48 TYR N N 48 114.763 113.936 0.827 1
1 531 . 19 1 1 A 49 49 GLY H H 49 8.065 8.275 -0.210 1
1 532 . 19 1 1 A 49 49 GLY HA2 H 49 4.023 4.005 0.018 1
1 533 . 19 1 1 A 49 49 GLY HA3 H 49 3.571 4.021 -0.450 1
1 534 . 19 1 1 A 49 49 GLY C C 49 172.707 174.247 -1.540 1
1 535 . 19 1 1 A 49 49 GLY CA C 49 46.165 45.195 0.970 1
1 536 . 19 1 1 A 49 49 GLY N N 49 107.679 107.042 0.637 1
1 537 . 19 1 1 A 50 50 ASN H H 50 8.836 8.120 0.716 1
1 538 . 19 1 1 A 50 50 ASN HA H 50 4.777 5.143 -0.366 1
1 543 . 19 1 1 A 50 50 ASN C C 50 173.696 173.809 -0.113 1
1 544 . 19 1 1 A 50 50 ASN CA C 50 52.747 51.725 1.022 1
1 545 . 19 1 1 A 50 50 ASN CB C 50 37.710 40.803 -3.093 1
1 546 . 19 1 1 A 50 50 ASN N N 50 114.795 116.801 -2.006 1
1 548 . 19 1 1 A 51 51 TYR H H 51 8.726 8.847 -0.121 1
1 549 . 19 1 1 A 51 51 TYR HA H 51 5.696 5.360 0.336 1
1 556 . 19 1 1 A 51 51 TYR C C 51 176.871 175.585 1.286 1
1 557 . 19 1 1 A 51 51 TYR CA C 51 56.789 57.608 -0.819 1
1 558 . 19 1 1 A 51 51 TYR CB C 51 40.037 40.670 -0.633 1
1 563 . 19 1 1 A 51 51 TYR N N 51 120.703 121.180 -0.477 1
1 564 . 19 1 1 A 52 52 GLU H H 52 8.995 9.174 -0.179 1
1 565 . 19 1 1 A 52 52 GLU HA H 52 4.981 4.945 0.036 1
1 570 . 19 1 1 A 52 52 GLU C C 52 174.629 174.763 -0.134 1
1 571 . 19 1 1 A 52 52 GLU CA C 52 54.070 55.644 -1.574 1
1 572 . 19 1 1 A 52 52 GLU CB C 52 34.814 34.274 0.540 1
1 574 . 19 1 1 A 52 52 GLU N N 52 118.929 120.624 -1.695 1
1 575 . 19 1 1 A 53 53 GLU H H 53 8.995 8.569 0.426 1
1 576 . 19 1 1 A 53 53 GLU HA H 53 5.175 4.568 0.607 1
1 581 . 19 1 1 A 53 53 GLU C C 53 176.301 175.527 0.774 1
1 582 . 19 1 1 A 53 53 GLU CA C 53 55.500 55.812 -0.312 1
1 583 . 19 1 1 A 53 53 GLU CB C 53 30.537 30.487 0.050 1
1 585 . 19 1 1 A 53 53 GLU N N 53 122.819 123.828 -1.009 1
1 586 . 19 1 1 A 54 54 VAL H H 54 9.375 8.168 1.207 1
1 587 . 19 1 1 A 54 54 VAL HA H 54 4.739 4.728 0.011 1
1 595 . 19 1 1 A 54 54 VAL C C 54 175.017 174.950 0.067 1
1 596 . 19 1 1 A 54 54 VAL CA C 54 59.647 60.541 -0.894 1
1 597 . 19 1 1 A 54 54 VAL CB C 54 36.171 35.523 0.648 1
1 600 . 19 1 1 A 54 54 VAL N N 54 125.177 126.711 -1.534 1
1 601 . 19 1 1 A 55 55 LEU H H 55 8.744 8.585 0.159 1
1 602 . 19 1 1 A 55 55 LEU HA H 55 4.500 4.463 0.037 1
1 612 . 19 1 1 A 55 55 LEU C C 55 179.440 178.501 0.939 1
1 613 . 19 1 1 A 55 55 LEU CA C 55 55.495 54.755 0.740 1
1 614 . 19 1 1 A 55 55 LEU CB C 55 42.628 42.182 0.446 1
1 618 . 19 1 1 A 55 55 LEU N N 55 123.920 125.710 -1.790 1
1 619 . 19 1 1 A 56 56 LEU H H 56 8.324 8.655 -0.331 1
1 620 . 19 1 1 A 56 56 LEU HA H 56 3.855 4.087 -0.232 1
1 630 . 19 1 1 A 56 56 LEU C C 56 178.810 178.351 0.459 1
1 631 . 19 1 1 A 56 56 LEU CA C 56 57.883 57.442 0.441 1
1 632 . 19 1 1 A 56 56 LEU CB C 56 41.330 41.709 -0.379 1
1 636 . 19 1 1 A 56 56 LEU N N 56 123.383 122.948 0.435 1
1 637 . 19 1 1 A 57 57 SER H H 57 7.886 8.027 -0.141 1
1 638 . 19 1 1 A 57 57 SER HA H 57 4.364 4.465 -0.101 1
1 641 . 19 1 1 A 57 57 SER C C 57 174.944 175.311 -0.367 1
1 642 . 19 1 1 A 57 57 SER CA C 57 59.859 60.167 -0.308 1
1 643 . 19 1 1 A 57 57 SER CB C 57 62.509 63.103 -0.594 1
1 644 . 19 1 1 A 57 57 SER N N 57 109.927 114.127 -4.200 1
1 645 . 19 1 1 A 58 58 ASN H H 58 8.085 8.318 -0.233 1
1 646 . 19 1 1 A 58 58 ASN HA H 58 5.275 5.056 0.219 1
1 651 . 19 1 1 A 58 58 ASN C C 58 172.402 173.869 -1.467 1
1 652 . 19 1 1 A 58 58 ASN CA C 58 52.535 53.200 -0.665 1
1 653 . 19 1 1 A 58 58 ASN CB C 58 39.585 39.356 0.229 1
1 654 . 19 1 1 A 58 58 ASN N N 58 120.812 117.371 3.441 1
1 656 . 19 1 1 A 59 59 ILE H H 59 7.291 7.226 0.065 1
1 657 . 19 1 1 A 59 59 ILE HA H 59 5.125 5.154 -0.029 1
1 667 . 19 1 1 A 59 59 ILE C C 59 174.980 174.888 0.092 1
1 668 . 19 1 1 A 59 59 ILE CA C 59 60.659 59.861 0.798 1
1 669 . 19 1 1 A 59 59 ILE CB C 59 39.996 40.399 -0.403 1
1 673 . 19 1 1 A 59 59 ILE N N 59 115.444 121.257 -5.813 1
1 674 . 19 1 1 A 60 60 LYS H H 60 9.366 8.828 0.538 1
1 675 . 19 1 1 A 60 60 LYS HA H 60 5.300 4.929 0.371 1
1 684 . 19 1 1 A 60 60 LYS C C 60 173.381 174.254 -0.873 1
1 685 . 19 1 1 A 60 60 LYS CA C 60 52.977 52.846 0.131 1
1 686 . 19 1 1 A 60 60 LYS CB C 60 34.814 34.486 0.328 1
1 690 . 19 1 1 A 60 60 LYS N N 60 122.819 126.053 -3.234 1
1 691 . 19 1 1 A 61 61 PRO HA H 61 5.027 4.944 0.083 1
1 698 . 19 1 1 A 61 61 PRO C C 61 176.256 176.971 -0.715 1
1 699 . 19 1 1 A 61 61 PRO CA C 61 62.754 62.931 -0.177 1
1 700 . 19 1 1 A 61 61 PRO CB C 61 32.594 32.526 0.068 1
1 703 . 19 1 1 A 62 62 VAL H H 62 8.525 8.530 -0.005 1
1 704 . 19 1 1 A 62 62 VAL HA H 62 3.969 4.374 -0.405 1
1 712 . 19 1 1 A 62 62 VAL C C 62 176.192 175.432 0.760 1
1 713 . 19 1 1 A 62 62 VAL CA C 62 62.895 62.641 0.254 1
1 714 . 19 1 1 A 62 62 VAL CB C 62 32.059 32.417 -0.358 1
1 717 . 19 1 1 A 62 62 VAL N N 62 117.807 123.231 -5.424 1
1 718 . 19 1 1 A 63 63 GLN H H 63 7.815 8.800 -0.985 1
1 719 . 19 1 1 A 63 63 GLN HA H 63 4.415 5.015 -0.600 1
1 726 . 19 1 1 A 63 63 GLN C C 63 175.716 174.769 0.947 1
1 727 . 19 1 1 A 63 63 GLN CA C 63 55.535 55.047 0.488 1
1 728 . 19 1 1 A 63 63 GLN CB C 63 29.468 29.788 -0.320 1
1 730 . 19 1 1 A 63 63 GLN N N 63 122.188 127.394 -5.206 1
1 732 . 19 1 1 A 64 64 THR H H 64 8.185 8.683 -0.498 1
1 733 . 19 1 1 A 64 64 THR HA H 64 4.154 4.839 -0.685 1
1 738 . 19 1 1 A 64 64 THR C C 64 174.616 172.195 2.421 1
1 739 . 19 1 1 A 64 64 THR CA C 64 62.277 60.651 1.626 1
1 740 . 19 1 1 A 64 64 THR CB C 64 69.565 69.706 -0.141 1
1 742 . 19 1 1 A 64 64 THR N N 64 116.169 120.044 -3.875 1
1 743 . 19 1 1 A 65 65 GLU H H 65 8.460 8.688 -0.228 1
1 744 . 19 1 1 A 65 65 GLU HA H 65 4.174 4.695 -0.521 1
1 749 . 19 1 1 A 65 65 GLU C C 65 176.216 176.660 -0.444 1
1 750 . 19 1 1 A 65 65 GLU CA C 65 56.647 55.248 1.399 1
1 751 . 19 1 1 A 65 65 GLU CB C 65 30.044 29.229 0.815 1
1 753 . 19 1 1 A 65 65 GLU N N 65 123.014 124.587 -1.573 1
1 754 . 19 1 1 A 66 66 ALA H H 66 8.245 8.251 -0.006 1
1 755 . 19 1 1 A 66 66 ALA HA H 66 4.205 4.509 -0.304 1
1 759 . 19 1 1 A 66 66 ALA C C 66 177.258 176.849 0.409 1
1 760 . 19 1 1 A 66 66 ALA CA C 66 52.730 52.064 0.666 1
1 761 . 19 1 1 A 66 66 ALA CB C 66 19.064 18.398 0.666 1
1 762 . 19 1 1 A 66 66 ALA N N 66 124.251 122.863 1.388 1
1 763 . 19 1 1 A 67 67 TRP H H 67 7.875 7.844 0.031 1
1 764 . 19 1 1 A 67 67 TRP HA H 67 4.609 4.685 -0.076 1
1 772 . 19 1 1 A 67 67 TRP C C 67 175.889 176.218 -0.329 1
1 773 . 19 1 1 A 67 67 TRP CA C 67 57.106 56.566 0.540 1
1 774 . 19 1 1 A 67 67 TRP CB C 67 29.427 30.571 -1.144 1
1 779 . 19 1 1 A 67 67 TRP N N 67 119.568 116.943 2.625 1
1 781 . 19 1 1 A 68 68 VAL H H 68 7.815 8.553 -0.738 1
1 782 . 19 1 1 A 68 68 VAL HA H 68 3.917 4.473 -0.556 1
1 790 . 19 1 1 A 68 68 VAL C C 68 175.368 174.249 1.119 1
1 791 . 19 1 1 A 68 68 VAL CA C 68 62.189 60.931 1.258 1
1 792 . 19 1 1 A 68 68 VAL CB C 68 32.981 33.380 -0.399 1
1 795 . 19 1 1 A 68 68 VAL N N 68 122.485 121.925 0.560 1
1 796 . 19 1 1 A 69 69 ARG H H 69 8.084 8.573 -0.489 1
1 797 . 19 1 1 A 69 69 ARG HA H 69 4.107 4.936 -0.829 1
1 804 . 19 1 1 A 69 69 ARG C C 69 175.465 174.542 0.923 1
1 805 . 19 1 1 A 69 69 ARG CA C 69 55.841 53.706 2.135 1
1 806 . 19 1 1 A 69 69 ARG CB C 69 30.949 33.517 -2.568 1
1 809 . 19 1 1 A 69 69 ARG N N 69 124.540 127.561 -3.021 1
1 810 . 19 1 1 A 70 70 ASP H H 70 8.365 8.512 -0.147 1
1 811 . 19 1 1 A 70 70 ASP HA H 70 4.780 4.711 0.069 1
1 814 . 19 1 1 A 70 70 ASP C C 70 175.319 174.281 1.038 1
1 815 . 19 1 1 A 70 70 ASP CA C 70 51.882 52.772 -0.890 1
1 816 . 19 1 1 A 70 70 ASP CB C 70 41.312 40.207 1.105 1
1 817 . 19 1 1 A 70 70 ASP N N 70 123.498 125.377 -1.879 1
1 818 . 19 1 1 A 71 71 PRO HA H 71 4.355 4.473 -0.118 1
1 825 . 19 1 1 A 71 71 PRO C C 71 177.091 177.464 -0.373 1
1 826 . 19 1 1 A 71 71 PRO CA C 71 63.777 62.287 1.490 1
1 827 . 19 1 1 A 71 71 PRO CB C 71 32.118 33.168 -1.050 1
1 830 . 19 1 1 A 72 72 ASN H H 72 8.521 8.777 -0.256 1
1 831 . 19 1 1 A 72 72 ASN HA H 72 4.764 4.419 0.345 1
1 836 . 19 1 1 A 72 72 ASN C C 72 175.312 175.678 -0.366 1
1 837 . 19 1 1 A 72 72 ASN CA C 72 53.471 56.348 -2.877 1
1 838 . 19 1 1 A 72 72 ASN CB C 72 38.869 38.153 0.716 1
1 839 . 19 1 1 A 72 72 ASN N N 72 117.256 120.828 -3.572 1
1 841 . 19 1 1 A 73 73 SER H H 73 7.937 8.129 -0.192 1
1 842 . 19 1 1 A 73 73 SER HA H 73 4.429 4.089 0.340 1
1 845 . 19 1 1 A 73 73 SER C C 73 174.532 173.233 1.299 1
1 846 . 19 1 1 A 73 73 SER CA C 73 58.642 59.180 -0.538 1
1 847 . 19 1 1 A 73 73 SER CB C 73 64.137 62.070 2.067 1
1 848 . 19 1 1 A 73 73 SER N N 73 115.503 114.287 1.216 1
1 849 . 19 1 1 A 74 74 GLY H H 74 8.206 7.782 0.424 1
1 850 . 19 1 1 A 74 74 GLY HA2 H 74 4.071 4.122 -0.051 1
1 851 . 19 1 1 A 74 74 GLY HA3 H 74 4.123 4.122 0.001 1
1 852 . 19 1 1 A 74 74 GLY C C 74 171.781 174.053 -2.272 1
1 853 . 19 1 1 A 74 74 GLY CA C 74 44.682 45.150 -0.468 1
1 854 . 19 1 1 A 74 74 GLY N N 74 110.659 107.240 3.419 1
1 855 . 19 1 1 A 75 75 PRO HA H 75 4.446 4.535 -0.089 1
1 862 . 19 1 1 A 75 75 PRO C C 75 177.407 176.354 1.053 1
1 863 . 19 1 1 A 75 75 PRO CA C 75 63.212 63.659 -0.447 1
1 864 . 19 1 1 A 75 75 PRO CB C 75 32.182 31.950 0.232 1
1 867 . 19 1 1 A 76 76 SER H H 76 8.504 7.744 0.760 1
1 868 . 19 1 1 A 76 76 SER HA H 76 4.489 4.287 0.202 1
1 871 . 19 1 1 A 76 76 SER C C 76 174.677 174.192 0.485 1
1 872 . 19 1 1 A 76 76 SER CA C 76 58.359 60.709 -2.350 1
1 873 . 19 1 1 A 76 76 SER CB C 76 64.013 63.540 0.473 1
1 874 . 19 1 1 A 76 76 SER N N 76 116.388 116.187 0.201 1
1 875 . 19 1 1 A 77 77 SER H H 77 8.312 8.731 -0.419 1
1 876 . 19 1 1 A 77 77 SER C C 77 173.914 173.696 0.218 1
1 877 . 19 1 1 A 77 77 SER CA C 77 58.342 56.726 1.616 1
1 878 . 19 1 1 A 77 77 SER CB C 77 64.013 66.877 -2.864 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.892 3.796 0.096 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.892 3.797 0.095 1
1 3 . 20 1 1 A 7 7 GLY C C 7 173.405 174.409 -1.004 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.070 47.340 -2.270 1
1 5 . 20 1 1 A 8 8 LYS H H 8 7.913 7.678 0.235 1
1 6 . 20 1 1 A 8 8 LYS HA H 8 4.031 4.605 -0.574 1
1 15 . 20 1 1 A 8 8 LYS C C 8 175.501 174.065 1.436 1
1 16 . 20 1 1 A 8 8 LYS CA C 8 55.765 55.591 0.174 1
1 17 . 20 1 1 A 8 8 LYS CB C 8 33.046 36.112 -3.066 1
1 21 . 20 1 1 A 8 8 LYS N N 8 121.849 119.690 2.159 1
1 22 . 20 1 1 A 9 9 VAL H H 9 8.175 8.473 -0.298 1
1 23 . 20 1 1 A 9 9 VAL HA H 9 4.082 4.696 -0.614 1
1 31 . 20 1 1 A 9 9 VAL C C 9 175.680 174.717 0.963 1
1 32 . 20 1 1 A 9 9 VAL CA C 9 61.571 60.796 0.775 1
1 33 . 20 1 1 A 9 9 VAL CB C 9 32.224 35.360 -3.136 1
1 36 . 20 1 1 A 9 9 VAL N N 9 125.536 124.715 0.821 1
1 37 . 20 1 1 A 10 10 TRP H H 10 8.125 8.862 -0.737 1
1 38 . 20 1 1 A 10 10 TRP HA H 10 4.667 5.214 -0.547 1
1 47 . 20 1 1 A 10 10 TRP C C 10 174.859 175.613 -0.754 1
1 48 . 20 1 1 A 10 10 TRP CA C 10 57.088 56.440 0.648 1
1 49 . 20 1 1 A 10 10 TRP CB C 10 31.730 32.299 -0.569 1
1 55 . 20 1 1 A 10 10 TRP N N 10 127.817 128.504 -0.687 1
1 57 . 20 1 1 A 11 11 LYS H H 11 9.090 9.174 -0.084 1
1 58 . 20 1 1 A 11 11 LYS HA H 11 4.856 4.948 -0.092 1
1 67 . 20 1 1 A 11 11 LYS C C 11 172.968 173.427 -0.459 1
1 68 . 20 1 1 A 11 11 LYS CA C 11 53.330 54.579 -1.249 1
1 69 . 20 1 1 A 11 11 LYS CB C 11 33.827 35.802 -1.975 1
1 73 . 20 1 1 A 11 11 LYS N N 11 120.688 118.798 1.890 1
1 74 . 20 1 1 A 12 12 PRO HA H 12 3.894 4.581 -0.687 1
1 81 . 20 1 1 A 12 12 PRO C C 12 177.287 177.619 -0.332 1
1 82 . 20 1 1 A 12 12 PRO CA C 12 63.812 63.746 0.066 1
1 83 . 20 1 1 A 12 12 PRO CB C 12 31.278 31.270 0.008 1
1 86 . 20 1 1 A 13 13 GLY H H 13 9.494 9.258 0.236 1
1 87 . 20 1 1 A 13 13 GLY HA2 H 13 4.431 4.018 0.413 1
1 88 . 20 1 1 A 13 13 GLY HA3 H 13 3.746 4.023 -0.277 1
1 89 . 20 1 1 A 13 13 GLY C C 13 174.798 173.615 1.183 1
1 90 . 20 1 1 A 13 13 GLY CA C 13 44.559 45.376 -0.817 1
1 91 . 20 1 1 A 13 13 GLY N N 13 114.764 112.674 2.090 1
1 92 . 20 1 1 A 14 14 ASP H H 14 8.005 7.956 0.049 1
1 93 . 20 1 1 A 14 14 ASP HA H 14 4.665 4.953 -0.288 1
1 96 . 20 1 1 A 14 14 ASP C C 14 176.143 175.768 0.375 1
1 97 . 20 1 1 A 14 14 ASP CA C 14 55.553 53.290 2.263 1
1 98 . 20 1 1 A 14 14 ASP CB C 14 41.600 43.706 -2.106 1
1 99 . 20 1 1 A 14 14 ASP N N 14 121.257 120.027 1.230 1
1 100 . 20 1 1 A 15 15 GLU H H 15 8.645 8.734 -0.089 1
1 101 . 20 1 1 A 15 15 GLU HA H 15 4.852 4.430 0.422 1
1 106 . 20 1 1 A 15 15 GLU C C 15 175.679 176.388 -0.709 1
1 107 . 20 1 1 A 15 15 GLU CA C 15 55.783 56.697 -0.914 1
1 108 . 20 1 1 A 15 15 GLU CB C 15 31.295 29.905 1.390 1
1 110 . 20 1 1 A 15 15 GLU N N 15 121.409 124.582 -3.173 1
1 111 . 20 1 1 A 16 16 CYS H H 16 8.735 9.127 -0.392 1
1 112 . 20 1 1 A 16 16 CYS HA H 16 5.086 5.214 -0.128 1
1 115 . 20 1 1 A 16 16 CYS C C 16 172.636 172.558 0.078 1
1 116 . 20 1 1 A 16 16 CYS CA C 16 56.418 56.627 -0.209 1
1 117 . 20 1 1 A 16 16 CYS CB C 16 32.553 31.772 0.781 1
1 118 . 20 1 1 A 16 16 CYS N N 16 116.207 120.398 -4.191 1
1 119 . 20 1 1 A 17 17 PHE H H 17 9.125 8.527 0.598 1
1 120 . 20 1 1 A 17 17 PHE HA H 17 5.235 5.505 -0.270 1
1 128 . 20 1 1 A 17 17 PHE C C 17 174.823 174.619 0.204 1
1 129 . 20 1 1 A 17 17 PHE CA C 17 57.547 56.781 0.766 1
1 130 . 20 1 1 A 17 17 PHE CB C 17 42.053 41.096 0.957 1
1 136 . 20 1 1 A 17 17 PHE N N 17 116.836 118.120 -1.284 1
1 137 . 20 1 1 A 18 18 ALA H H 18 9.373 9.010 0.363 1
1 138 . 20 1 1 A 18 18 ALA HA H 18 5.552 5.405 0.147 1
1 142 . 20 1 1 A 18 18 ALA C C 18 175.841 176.192 -0.351 1
1 143 . 20 1 1 A 18 18 ALA CA C 18 50.147 50.102 0.045 1
1 144 . 20 1 1 A 18 18 ALA CB C 18 23.798 21.296 2.502 1
1 145 . 20 1 1 A 18 18 ALA N N 18 122.751 127.159 -4.408 1
1 146 . 20 1 1 A 19 19 LEU H H 19 7.487 8.258 -0.771 1
1 147 . 20 1 1 A 19 19 LEU HA H 19 3.514 4.689 -1.175 1
1 157 . 20 1 1 A 19 19 LEU C C 19 175.598 176.558 -0.960 1
1 158 . 20 1 1 A 19 19 LEU CA C 19 55.165 55.602 -0.437 1
1 159 . 20 1 1 A 19 19 LEU CB C 19 43.656 42.770 0.886 1
1 163 . 20 1 1 A 19 19 LEU N N 19 123.529 125.996 -2.467 1
1 164 . 20 1 1 A 20 20 TYR H H 20 9.405 8.661 0.744 1
1 165 . 20 1 1 A 20 20 TYR HA H 20 4.939 4.897 0.042 1
1 172 . 20 1 1 A 20 20 TYR C C 20 176.593 176.852 -0.259 1
1 173 . 20 1 1 A 20 20 TYR CA C 20 55.201 58.855 -3.654 1
1 174 . 20 1 1 A 20 20 TYR CB C 20 37.899 39.510 -1.611 1
1 179 . 20 1 1 A 20 20 TYR N N 20 132.207 126.615 5.592 1
1 180 . 20 1 1 A 21 21 TRP H H 21 8.475 7.760 0.715 1
1 181 . 20 1 1 A 21 21 TRP HA H 21 4.087 4.691 -0.604 1
1 190 . 20 1 1 A 21 21 TRP C C 21 177.283 177.012 0.271 1
1 191 . 20 1 1 A 21 21 TRP CA C 21 58.695 56.974 1.721 1
1 192 . 20 1 1 A 21 21 TRP CB C 21 28.111 30.332 -2.221 1
1 198 . 20 1 1 A 21 21 TRP N N 21 128.228 125.348 2.880 1
1 200 . 20 1 1 A 22 22 GLU H H 22 4.195 7.052 -2.857 1
1 201 . 20 1 1 A 22 22 GLU HA H 22 2.895 4.180 -1.285 1
1 206 . 20 1 1 A 22 22 GLU C C 22 176.342 176.637 -0.295 1
1 207 . 20 1 1 A 22 22 GLU CA C 22 59.753 55.675 4.078 1
1 208 . 20 1 1 A 22 22 GLU CB C 22 29.468 30.290 -0.822 1
1 210 . 20 1 1 A 22 22 GLU N N 22 117.591 119.011 -1.420 1
1 211 . 20 1 1 A 23 23 ASP H H 23 6.695 7.786 -1.091 1
1 212 . 20 1 1 A 23 23 ASP HA H 23 4.554 4.793 -0.239 1
1 215 . 20 1 1 A 23 23 ASP C C 23 176.047 175.765 0.282 1
1 216 . 20 1 1 A 23 23 ASP CA C 23 51.970 54.095 -2.125 1
1 217 . 20 1 1 A 23 23 ASP CB C 23 41.353 43.258 -1.905 1
1 218 . 20 1 1 A 23 23 ASP N N 23 112.180 116.421 -4.241 1
1 219 . 20 1 1 A 24 24 ASN H H 24 8.248 8.010 0.238 1
1 220 . 20 1 1 A 24 24 ASN HA H 24 4.055 4.383 -0.328 1
1 225 . 20 1 1 A 24 24 ASN C C 24 173.702 173.657 0.045 1
1 226 . 20 1 1 A 24 24 ASN CA C 24 54.794 54.380 0.414 1
1 227 . 20 1 1 A 24 24 ASN CB C 24 37.940 36.775 1.165 1
1 228 . 20 1 1 A 24 24 ASN N N 24 116.693 115.086 1.607 1
1 230 . 20 1 1 A 25 25 LYS H H 25 7.604 7.565 0.039 1
1 231 . 20 1 1 A 25 25 LYS HA H 25 4.502 4.570 -0.068 1
1 240 . 20 1 1 A 25 25 LYS C C 25 174.726 175.341 -0.615 1
1 241 . 20 1 1 A 25 25 LYS CA C 25 54.565 54.297 0.268 1
1 242 . 20 1 1 A 25 25 LYS CB C 25 35.143 34.279 0.864 1
1 246 . 20 1 1 A 25 25 LYS N N 25 116.646 117.554 -0.908 1
1 247 . 20 1 1 A 26 26 PHE H H 26 8.361 8.433 -0.072 1
1 248 . 20 1 1 A 26 26 PHE HA H 26 5.005 4.671 0.334 1
1 256 . 20 1 1 A 26 26 PHE C C 26 176.228 175.713 0.515 1
1 257 . 20 1 1 A 26 26 PHE CA C 26 58.236 58.706 -0.470 1
1 258 . 20 1 1 A 26 26 PHE CB C 26 41.148 39.473 1.675 1
1 264 . 20 1 1 A 26 26 PHE N N 26 118.446 120.463 -2.017 1
1 265 . 20 1 1 A 27 27 TYR H H 27 8.851 8.943 -0.092 1
1 266 . 20 1 1 A 27 27 TYR HA H 27 5.045 5.321 -0.276 1
1 273 . 20 1 1 A 27 27 TYR C C 27 175.380 175.149 0.231 1
1 274 . 20 1 1 A 27 27 TYR CA C 27 56.594 56.605 -0.011 1
1 275 . 20 1 1 A 27 27 TYR CB C 27 43.856 42.212 1.644 1
1 280 . 20 1 1 A 27 27 TYR N N 27 118.823 122.051 -3.228 1
1 281 . 20 1 1 A 28 28 ARG H H 28 9.026 8.826 0.200 1
1 282 . 20 1 1 A 28 28 ARG HA H 28 4.202 3.120 1.082 1
1 290 . 20 1 1 A 28 28 ARG C C 28 175.789 175.360 0.429 1
1 291 . 20 1 1 A 28 28 ARG CA C 28 57.142 56.655 0.487 1
1 292 . 20 1 1 A 28 28 ARG CB C 28 30.291 30.977 -0.686 1
1 295 . 20 1 1 A 28 28 ARG N N 28 122.262 123.841 -1.579 1
1 297 . 20 1 1 A 29 29 ALA H H 29 9.157 8.618 0.539 1
1 298 . 20 1 1 A 29 29 ALA HA H 29 5.098 4.957 0.141 1
1 302 . 20 1 1 A 29 29 ALA C C 29 175.247 175.042 0.205 1
1 303 . 20 1 1 A 29 29 ALA CA C 29 51.188 51.243 -0.055 1
1 304 . 20 1 1 A 29 29 ALA CB C 29 23.153 22.808 0.345 1
1 305 . 20 1 1 A 29 29 ALA N N 29 126.768 127.020 -0.252 1
1 306 . 20 1 1 A 30 30 GLU H H 30 8.167 8.505 -0.338 1
1 307 . 20 1 1 A 30 30 GLU HA H 30 5.085 4.797 0.288 1
1 312 . 20 1 1 A 30 30 GLU C C 30 176.265 175.044 1.221 1
1 313 . 20 1 1 A 30 30 GLU CA C 30 53.948 55.201 -1.253 1
1 314 . 20 1 1 A 30 30 GLU CB C 30 33.622 33.265 0.357 1
1 316 . 20 1 1 A 30 30 GLU N N 30 118.036 118.292 -0.256 1
1 317 . 20 1 1 A 31 31 VAL H H 31 8.961 8.732 0.229 1
1 318 . 20 1 1 A 31 31 VAL HA H 31 3.545 3.889 -0.344 1
1 326 . 20 1 1 A 31 31 VAL C C 31 175.369 176.039 -0.670 1
1 327 . 20 1 1 A 31 31 VAL CA C 31 64.571 63.241 1.330 1
1 328 . 20 1 1 A 31 31 VAL CB C 31 31.678 31.168 0.510 1
1 331 . 20 1 1 A 31 31 VAL N N 31 124.010 127.410 -3.400 1
1 332 . 20 1 1 A 32 32 GLU H H 32 9.483 9.172 0.311 1
1 333 . 20 1 1 A 32 32 GLU HA H 32 4.627 4.293 0.334 1
1 338 . 20 1 1 A 32 32 GLU C C 32 175.695 176.179 -0.484 1
1 339 . 20 1 1 A 32 32 GLU CA C 32 56.841 58.556 -1.715 1
1 340 . 20 1 1 A 32 32 GLU CB C 32 30.661 30.645 0.016 1
1 342 . 20 1 1 A 32 32 GLU N N 32 130.912 129.384 1.528 1
1 343 . 20 1 1 A 33 33 ALA H H 33 7.838 7.493 0.345 1
1 344 . 20 1 1 A 33 33 ALA HA H 33 4.456 4.718 -0.262 1
1 348 . 20 1 1 A 33 33 ALA C C 33 174.956 175.989 -1.033 1
1 349 . 20 1 1 A 33 33 ALA CA C 33 51.777 51.540 0.237 1
1 350 . 20 1 1 A 33 33 ALA CB C 33 22.189 22.852 -0.663 1
1 351 . 20 1 1 A 33 33 ALA N N 33 117.714 119.079 -1.365 1
1 352 . 20 1 1 A 34 34 LEU H H 34 8.954 8.736 0.218 1
1 353 . 20 1 1 A 34 34 LEU HA H 34 4.702 4.737 -0.035 1
1 363 . 20 1 1 A 34 34 LEU C C 34 176.325 176.510 -0.185 1
1 364 . 20 1 1 A 34 34 LEU CA C 34 53.559 54.169 -0.610 1
1 365 . 20 1 1 A 34 34 LEU CB C 34 42.381 43.003 -0.622 1
1 369 . 20 1 1 A 34 34 LEU N N 34 122.418 121.762 0.656 1
1 370 . 20 1 1 A 35 35 HIS H H 35 8.022 8.248 -0.226 1
1 371 . 20 1 1 A 35 35 HIS HA H 35 4.544 4.816 -0.272 1
1 376 . 20 1 1 A 35 35 HIS C C 35 178.300 175.778 2.522 1
1 377 . 20 1 1 A 35 35 HIS CA C 35 57.706 55.157 2.549 1
1 378 . 20 1 1 A 35 35 HIS CB C 35 32.594 31.223 1.371 1
1 381 . 20 1 1 A 35 35 HIS N N 35 123.729 122.573 1.156 1
1 382 . 20 1 1 A 37 37 SER H H 37 10.111 7.231 2.880 1
1 383 . 20 1 1 A 37 37 SER HA H 37 4.339 4.005 0.334 1
1 386 . 20 1 1 A 37 37 SER C C 37 176.434 174.870 1.564 1
1 387 . 20 1 1 A 37 37 SER CA C 37 59.895 61.163 -1.268 1
1 388 . 20 1 1 A 37 37 SER CB C 37 63.665 63.731 -0.066 1
1 389 . 20 1 1 A 37 37 SER N N 37 119.788 115.874 3.914 1
1 390 . 20 1 1 A 38 38 GLY H H 38 8.136 7.878 0.258 1
1 391 . 20 1 1 A 38 38 GLY HA2 H 38 4.257 4.029 0.228 1
1 392 . 20 1 1 A 38 38 GLY HA3 H 38 3.981 4.053 -0.072 1
1 393 . 20 1 1 A 38 38 GLY C C 38 174.441 174.433 0.008 1
1 394 . 20 1 1 A 38 38 GLY CA C 38 46.006 46.271 -0.265 1
1 395 . 20 1 1 A 38 38 GLY N N 38 108.557 107.877 0.680 1
1 396 . 20 1 1 A 39 39 MET H H 39 8.180 8.172 0.008 1
1 397 . 20 1 1 A 39 39 MET HA H 39 4.789 4.748 0.041 1
1 405 . 20 1 1 A 39 39 MET C C 39 177.404 176.034 1.370 1
1 406 . 20 1 1 A 39 39 MET CA C 39 55.889 56.393 -0.504 1
1 407 . 20 1 1 A 39 39 MET CB C 39 34.033 35.331 -1.298 1
1 410 . 20 1 1 A 39 39 MET N N 39 113.829 116.260 -2.431 1
1 411 . 20 1 1 A 40 40 THR H H 40 7.174 8.184 -1.010 1
1 412 . 20 1 1 A 40 40 THR HA H 40 5.182 4.975 0.207 1
1 417 . 20 1 1 A 40 40 THR C C 40 172.981 173.816 -0.835 1
1 418 . 20 1 1 A 40 40 THR CA C 40 59.559 60.169 -0.610 1
1 419 . 20 1 1 A 40 40 THR CB C 40 73.120 71.777 1.343 1
1 421 . 20 1 1 A 40 40 THR N N 40 108.160 109.856 -1.696 1
1 422 . 20 1 1 A 41 41 ALA H H 41 9.245 8.434 0.811 1
1 423 . 20 1 1 A 41 41 ALA HA H 41 4.932 4.876 0.056 1
1 427 . 20 1 1 A 41 41 ALA C C 41 175.635 176.095 -0.460 1
1 428 . 20 1 1 A 41 41 ALA CA C 41 50.417 51.574 -1.157 1
1 429 . 20 1 1 A 41 41 ALA CB C 41 22.600 23.045 -0.445 1
1 430 . 20 1 1 A 41 41 ALA N N 41 122.138 121.813 0.325 1
1 431 . 20 1 1 A 42 42 VAL H H 42 8.773 8.695 0.078 1
1 432 . 20 1 1 A 42 42 VAL HA H 42 4.789 4.244 0.545 1
1 440 . 20 1 1 A 42 42 VAL C C 42 176.410 175.639 0.771 1
1 441 . 20 1 1 A 42 42 VAL CA C 42 62.083 62.758 -0.675 1
1 442 . 20 1 1 A 42 42 VAL CB C 42 32.776 31.515 1.261 1
1 445 . 20 1 1 A 42 42 VAL N N 42 120.320 121.574 -1.254 1
1 446 . 20 1 1 A 43 43 VAL H H 43 9.224 8.580 0.644 1
1 447 . 20 1 1 A 43 43 VAL HA H 43 5.013 4.894 0.119 1
1 455 . 20 1 1 A 43 43 VAL C C 43 172.532 173.654 -1.122 1
1 456 . 20 1 1 A 43 43 VAL CA C 43 57.812 58.900 -1.088 1
1 457 . 20 1 1 A 43 43 VAL CB C 43 34.280 34.497 -0.217 1
1 460 . 20 1 1 A 43 43 VAL N N 43 121.151 122.459 -1.308 1
1 461 . 20 1 1 A 44 44 LYS H H 44 8.645 8.430 0.215 1
1 462 . 20 1 1 A 44 44 LYS HA H 44 4.627 4.875 -0.248 1
1 471 . 20 1 1 A 44 44 LYS C C 44 177.419 175.109 2.310 1
1 472 . 20 1 1 A 44 44 LYS CA C 44 53.612 54.369 -0.757 1
1 473 . 20 1 1 A 44 44 LYS CB C 44 35.143 35.194 -0.051 1
1 477 . 20 1 1 A 44 44 LYS N N 44 121.425 122.973 -1.548 1
1 478 . 20 1 1 A 45 45 PHE H H 45 8.823 8.869 -0.046 1
1 479 . 20 1 1 A 45 45 PHE HA H 45 4.505 4.578 -0.073 1
1 487 . 20 1 1 A 45 45 PHE C C 45 177.585 176.472 1.113 1
1 488 . 20 1 1 A 45 45 PHE CA C 45 59.841 58.070 1.771 1
1 489 . 20 1 1 A 45 45 PHE CB C 45 38.598 39.410 -0.812 1
1 495 . 20 1 1 A 45 45 PHE N N 45 128.232 125.807 2.425 1
1 496 . 20 1 1 A 46 46 THR H H 46 8.281 8.923 -0.642 1
1 497 . 20 1 1 A 46 46 THR HA H 46 3.738 4.014 -0.276 1
1 502 . 20 1 1 A 46 46 THR C C 46 176.410 176.022 0.388 1
1 503 . 20 1 1 A 46 46 THR CA C 46 65.930 65.525 0.405 1
1 504 . 20 1 1 A 46 46 THR CB C 46 68.743 68.866 -0.123 1
1 506 . 20 1 1 A 46 46 THR N N 46 120.729 120.763 -0.034 1
1 507 . 20 1 1 A 47 47 ASP H H 47 9.166 8.453 0.713 1
1 508 . 20 1 1 A 47 47 ASP HA H 47 4.300 4.012 0.288 1
1 511 . 20 1 1 A 47 47 ASP C C 47 176.844 177.259 -0.415 1
1 512 . 20 1 1 A 47 47 ASP CA C 47 57.283 57.377 -0.094 1
1 513 . 20 1 1 A 47 47 ASP CB C 47 40.037 39.982 0.055 1
1 514 . 20 1 1 A 47 47 ASP N N 47 120.635 120.714 -0.079 1
1 515 . 20 1 1 A 48 48 TYR H H 48 7.676 7.588 0.088 1
1 516 . 20 1 1 A 48 48 TYR HA H 48 4.605 4.652 -0.047 1
1 523 . 20 1 1 A 48 48 TYR C C 48 177.343 176.078 1.265 1
1 524 . 20 1 1 A 48 48 TYR CA C 48 57.777 58.247 -0.470 1
1 525 . 20 1 1 A 48 48 TYR CB C 48 39.914 40.708 -0.794 1
1 530 . 20 1 1 A 48 48 TYR N N 48 114.763 113.633 1.130 1
1 531 . 20 1 1 A 49 49 GLY H H 49 8.065 8.222 -0.157 1
1 532 . 20 1 1 A 49 49 GLY HA2 H 49 4.023 4.017 0.006 1
1 533 . 20 1 1 A 49 49 GLY HA3 H 49 3.571 4.022 -0.451 1
1 534 . 20 1 1 A 49 49 GLY C C 49 172.707 174.221 -1.514 1
1 535 . 20 1 1 A 49 49 GLY CA C 49 46.165 45.309 0.856 1
1 536 . 20 1 1 A 49 49 GLY N N 49 107.679 107.308 0.371 1
1 537 . 20 1 1 A 50 50 ASN H H 50 8.836 8.087 0.749 1
1 538 . 20 1 1 A 50 50 ASN HA H 50 4.777 5.088 -0.311 1
1 543 . 20 1 1 A 50 50 ASN C C 50 173.696 173.630 0.066 1
1 544 . 20 1 1 A 50 50 ASN CA C 50 52.747 51.561 1.186 1
1 545 . 20 1 1 A 50 50 ASN CB C 50 37.710 41.026 -3.316 1
1 546 . 20 1 1 A 50 50 ASN N N 50 114.795 116.574 -1.779 1
1 548 . 20 1 1 A 51 51 TYR H H 51 8.726 8.642 0.084 1
1 549 . 20 1 1 A 51 51 TYR HA H 51 5.696 5.199 0.497 1
1 556 . 20 1 1 A 51 51 TYR C C 51 176.871 175.853 1.018 1
1 557 . 20 1 1 A 51 51 TYR CA C 51 56.789 58.183 -1.394 1
1 558 . 20 1 1 A 51 51 TYR CB C 51 40.037 40.042 -0.005 1
1 563 . 20 1 1 A 51 51 TYR N N 51 120.703 121.698 -0.995 1
1 564 . 20 1 1 A 52 52 GLU H H 52 8.995 9.151 -0.156 1
1 565 . 20 1 1 A 52 52 GLU HA H 52 4.981 5.009 -0.028 1
1 570 . 20 1 1 A 52 52 GLU C C 52 174.629 175.199 -0.570 1
1 571 . 20 1 1 A 52 52 GLU CA C 52 54.070 55.250 -1.180 1
1 572 . 20 1 1 A 52 52 GLU CB C 52 34.814 33.828 0.986 1
1 574 . 20 1 1 A 52 52 GLU N N 52 118.929 121.700 -2.771 1
1 575 . 20 1 1 A 53 53 GLU H H 53 8.995 8.711 0.284 1
1 576 . 20 1 1 A 53 53 GLU HA H 53 5.175 4.537 0.638 1
1 581 . 20 1 1 A 53 53 GLU C C 53 176.301 175.443 0.858 1
1 582 . 20 1 1 A 53 53 GLU CA C 53 55.500 56.610 -1.110 1
1 583 . 20 1 1 A 53 53 GLU CB C 53 30.537 30.061 0.476 1
1 585 . 20 1 1 A 53 53 GLU N N 53 122.819 125.334 -2.515 1
1 586 . 20 1 1 A 54 54 VAL H H 54 9.375 8.176 1.199 1
1 587 . 20 1 1 A 54 54 VAL HA H 54 4.739 4.701 0.038 1
1 595 . 20 1 1 A 54 54 VAL C C 54 175.017 175.018 -0.001 1
1 596 . 20 1 1 A 54 54 VAL CA C 54 59.647 60.618 -0.971 1
1 597 . 20 1 1 A 54 54 VAL CB C 54 36.171 35.898 0.273 1
1 600 . 20 1 1 A 54 54 VAL N N 54 125.177 126.946 -1.769 1
1 601 . 20 1 1 A 55 55 LEU H H 55 8.744 8.476 0.268 1
1 602 . 20 1 1 A 55 55 LEU HA H 55 4.500 4.420 0.080 1
1 612 . 20 1 1 A 55 55 LEU C C 55 179.440 178.529 0.911 1
1 613 . 20 1 1 A 55 55 LEU CA C 55 55.495 54.890 0.605 1
1 614 . 20 1 1 A 55 55 LEU CB C 55 42.628 42.047 0.581 1
1 618 . 20 1 1 A 55 55 LEU N N 55 123.920 125.821 -1.901 1
1 619 . 20 1 1 A 56 56 LEU H H 56 8.324 8.668 -0.344 1
1 620 . 20 1 1 A 56 56 LEU HA H 56 3.855 4.041 -0.186 1
1 630 . 20 1 1 A 56 56 LEU C C 56 178.810 178.761 0.049 1
1 631 . 20 1 1 A 56 56 LEU CA C 56 57.883 57.471 0.412 1
1 632 . 20 1 1 A 56 56 LEU CB C 56 41.330 41.458 -0.128 1
1 636 . 20 1 1 A 56 56 LEU N N 56 123.383 123.166 0.217 1
1 637 . 20 1 1 A 57 57 SER H H 57 7.886 8.254 -0.368 1
1 638 . 20 1 1 A 57 57 SER HA H 57 4.364 4.425 -0.061 1
1 641 . 20 1 1 A 57 57 SER C C 57 174.944 175.151 -0.207 1
1 642 . 20 1 1 A 57 57 SER CA C 57 59.859 60.843 -0.984 1
1 643 . 20 1 1 A 57 57 SER CB C 57 62.509 63.271 -0.762 1
1 644 . 20 1 1 A 57 57 SER N N 57 109.927 115.166 -5.239 1
1 645 . 20 1 1 A 58 58 ASN H H 58 8.085 7.977 0.108 1
1 646 . 20 1 1 A 58 58 ASN HA H 58 5.275 5.038 0.237 1
1 651 . 20 1 1 A 58 58 ASN C C 58 172.402 173.654 -1.252 1
1 652 . 20 1 1 A 58 58 ASN CA C 58 52.535 53.188 -0.653 1
1 653 . 20 1 1 A 58 58 ASN CB C 58 39.585 39.163 0.422 1
1 654 . 20 1 1 A 58 58 ASN N N 58 120.812 116.518 4.294 1
1 656 . 20 1 1 A 59 59 ILE H H 59 7.291 7.232 0.059 1
1 657 . 20 1 1 A 59 59 ILE HA H 59 5.125 5.195 -0.070 1
1 667 . 20 1 1 A 59 59 ILE C C 59 174.980 174.573 0.407 1
1 668 . 20 1 1 A 59 59 ILE CA C 59 60.659 60.190 0.469 1
1 669 . 20 1 1 A 59 59 ILE CB C 59 39.996 40.155 -0.159 1
1 673 . 20 1 1 A 59 59 ILE N N 59 115.444 121.673 -6.229 1
1 674 . 20 1 1 A 60 60 LYS H H 60 9.366 9.012 0.354 1
1 675 . 20 1 1 A 60 60 LYS HA H 60 5.300 4.922 0.378 1
1 684 . 20 1 1 A 60 60 LYS C C 60 173.381 174.353 -0.972 1
1 685 . 20 1 1 A 60 60 LYS CA C 60 52.977 52.570 0.407 1
1 686 . 20 1 1 A 60 60 LYS CB C 60 34.814 34.264 0.550 1
1 690 . 20 1 1 A 60 60 LYS N N 60 122.819 127.255 -4.436 1
1 691 . 20 1 1 A 61 61 PRO HA H 61 5.027 5.132 -0.105 1
1 698 . 20 1 1 A 61 61 PRO C C 61 176.256 176.081 0.175 1
1 699 . 20 1 1 A 61 61 PRO CA C 61 62.754 62.989 -0.235 1
1 700 . 20 1 1 A 61 61 PRO CB C 61 32.594 31.894 0.700 1
1 703 . 20 1 1 A 62 62 VAL H H 62 8.525 8.675 -0.150 1
1 704 . 20 1 1 A 62 62 VAL HA H 62 3.969 4.694 -0.725 1
1 712 . 20 1 1 A 62 62 VAL C C 62 176.192 175.104 1.088 1
1 713 . 20 1 1 A 62 62 VAL CA C 62 62.895 59.998 2.897 1
1 714 . 20 1 1 A 62 62 VAL CB C 62 32.059 34.122 -2.063 1
1 717 . 20 1 1 A 62 62 VAL N N 62 117.807 122.413 -4.606 1
1 718 . 20 1 1 A 63 63 GLN H H 63 7.815 8.505 -0.690 1
1 719 . 20 1 1 A 63 63 GLN HA H 63 4.415 4.390 0.025 1
1 726 . 20 1 1 A 63 63 GLN C C 63 175.716 175.632 0.084 1
1 727 . 20 1 1 A 63 63 GLN CA C 63 55.535 56.382 -0.847 1
1 728 . 20 1 1 A 63 63 GLN CB C 63 29.468 29.289 0.179 1
1 730 . 20 1 1 A 63 63 GLN N N 63 122.188 127.994 -5.806 1
1 732 . 20 1 1 A 64 64 THR H H 64 8.185 8.489 -0.304 1
1 733 . 20 1 1 A 64 64 THR HA H 64 4.154 4.636 -0.482 1
1 738 . 20 1 1 A 64 64 THR C C 64 174.616 173.938 0.678 1
1 739 . 20 1 1 A 64 64 THR CA C 64 62.277 61.686 0.591 1
1 740 . 20 1 1 A 64 64 THR CB C 64 69.565 69.618 -0.053 1
1 742 . 20 1 1 A 64 64 THR N N 64 116.169 120.730 -4.561 1
1 743 . 20 1 1 A 65 65 GLU H H 65 8.460 8.830 -0.370 1
1 744 . 20 1 1 A 65 65 GLU HA H 65 4.174 4.668 -0.494 1
1 749 . 20 1 1 A 65 65 GLU C C 65 176.216 176.590 -0.374 1
1 750 . 20 1 1 A 65 65 GLU CA C 65 56.647 56.161 0.486 1
1 751 . 20 1 1 A 65 65 GLU CB C 65 30.044 28.383 1.661 1
1 753 . 20 1 1 A 65 65 GLU N N 65 123.014 127.249 -4.235 1
1 754 . 20 1 1 A 66 66 ALA H H 66 8.245 8.289 -0.044 1
1 755 . 20 1 1 A 66 66 ALA HA H 66 4.205 4.672 -0.467 1
1 759 . 20 1 1 A 66 66 ALA C C 66 177.258 177.100 0.158 1
1 760 . 20 1 1 A 66 66 ALA CA C 66 52.730 51.207 1.523 1
1 761 . 20 1 1 A 66 66 ALA CB C 66 19.064 19.097 -0.033 1
1 762 . 20 1 1 A 66 66 ALA N N 66 124.251 126.657 -2.406 1
1 763 . 20 1 1 A 67 67 TRP H H 67 7.875 7.865 0.010 1
1 764 . 20 1 1 A 67 67 TRP HA H 67 4.609 4.720 -0.111 1
1 772 . 20 1 1 A 67 67 TRP C C 67 175.889 176.272 -0.383 1
1 773 . 20 1 1 A 67 67 TRP CA C 67 57.106 57.827 -0.721 1
1 774 . 20 1 1 A 67 67 TRP CB C 67 29.427 29.866 -0.439 1
1 779 . 20 1 1 A 67 67 TRP N N 67 119.568 120.819 -1.251 1
1 781 . 20 1 1 A 68 68 VAL H H 68 7.815 8.651 -0.836 1
1 782 . 20 1 1 A 68 68 VAL HA H 68 3.917 4.794 -0.877 1
1 790 . 20 1 1 A 68 68 VAL C C 68 175.368 175.264 0.104 1
1 791 . 20 1 1 A 68 68 VAL CA C 68 62.189 59.817 2.372 1
1 792 . 20 1 1 A 68 68 VAL CB C 68 32.981 35.459 -2.478 1
1 795 . 20 1 1 A 68 68 VAL N N 68 122.485 116.697 5.788 1
1 796 . 20 1 1 A 69 69 ARG H H 69 8.084 8.534 -0.450 1
1 797 . 20 1 1 A 69 69 ARG HA H 69 4.107 4.210 -0.103 1
1 804 . 20 1 1 A 69 69 ARG C C 69 175.465 175.974 -0.509 1
1 805 . 20 1 1 A 69 69 ARG CA C 69 55.841 57.343 -1.502 1
1 806 . 20 1 1 A 69 69 ARG CB C 69 30.949 30.427 0.522 1
1 809 . 20 1 1 A 69 69 ARG N N 69 124.540 126.016 -1.476 1
1 810 . 20 1 1 A 70 70 ASP H H 70 8.365 8.641 -0.276 1
1 811 . 20 1 1 A 70 70 ASP HA H 70 4.780 5.117 -0.337 1
1 814 . 20 1 1 A 70 70 ASP C C 70 175.319 174.143 1.176 1
1 815 . 20 1 1 A 70 70 ASP CA C 70 51.882 51.291 0.591 1
1 816 . 20 1 1 A 70 70 ASP CB C 70 41.312 41.565 -0.253 1
1 817 . 20 1 1 A 70 70 ASP N N 70 123.498 124.779 -1.281 1
1 818 . 20 1 1 A 71 71 PRO HA H 71 4.355 4.611 -0.256 1
1 825 . 20 1 1 A 71 71 PRO C C 71 177.091 176.884 0.207 1
1 826 . 20 1 1 A 71 71 PRO CA C 71 63.777 62.267 1.510 1
1 827 . 20 1 1 A 71 71 PRO CB C 71 32.118 32.803 -0.685 1
1 830 . 20 1 1 A 72 72 ASN H H 72 8.521 8.618 -0.097 1
1 831 . 20 1 1 A 72 72 ASN HA H 72 4.764 4.617 0.147 1
1 836 . 20 1 1 A 72 72 ASN C C 72 175.312 174.651 0.661 1
1 837 . 20 1 1 A 72 72 ASN CA C 72 53.471 53.830 -0.359 1
1 838 . 20 1 1 A 72 72 ASN CB C 72 38.869 38.637 0.232 1
1 839 . 20 1 1 A 72 72 ASN N N 72 117.256 118.803 -1.547 1
1 841 . 20 1 1 A 73 73 SER H H 73 7.937 8.632 -0.695 1
1 842 . 20 1 1 A 73 73 SER HA H 73 4.429 4.954 -0.525 1
1 845 . 20 1 1 A 73 73 SER C C 73 174.532 174.662 -0.130 1
1 846 . 20 1 1 A 73 73 SER CA C 73 58.642 57.015 1.627 1
1 847 . 20 1 1 A 73 73 SER CB C 73 64.137 65.678 -1.541 1
1 848 . 20 1 1 A 73 73 SER N N 73 115.503 117.615 -2.112 1
1 849 . 20 1 1 A 74 74 GLY H H 74 8.206 8.782 -0.576 1
1 850 . 20 1 1 A 74 74 GLY HA2 H 74 4.071 3.929 0.142 1
1 851 . 20 1 1 A 74 74 GLY HA3 H 74 4.123 3.931 0.192 1
1 852 . 20 1 1 A 74 74 GLY C C 74 171.781 174.445 -2.664 1
1 853 . 20 1 1 A 74 74 GLY CA C 74 44.682 47.230 -2.548 1
1 854 . 20 1 1 A 74 74 GLY N N 74 110.659 114.881 -4.222 1
1 855 . 20 1 1 A 75 75 PRO HA H 75 4.446 4.659 -0.213 1
1 862 . 20 1 1 A 75 75 PRO C C 75 177.407 176.172 1.235 1
1 863 . 20 1 1 A 75 75 PRO CA C 75 63.212 62.799 0.413 1
1 864 . 20 1 1 A 75 75 PRO CB C 75 32.182 32.954 -0.772 1
1 867 . 20 1 1 A 76 76 SER H H 76 8.504 8.543 -0.039 1
1 868 . 20 1 1 A 76 76 SER HA H 76 4.489 5.154 -0.665 1
1 871 . 20 1 1 A 76 76 SER C C 76 174.677 173.470 1.207 1
1 872 . 20 1 1 A 76 76 SER CA C 76 58.359 57.228 1.131 1
1 873 . 20 1 1 A 76 76 SER CB C 76 64.013 66.803 -2.790 1
1 874 . 20 1 1 A 76 76 SER N N 76 116.388 115.225 1.163 1
1 875 . 20 1 1 A 77 77 SER H H 77 8.312 8.640 -0.328 1
1 876 . 20 1 1 A 77 77 SER C C 77 173.914 174.103 -0.189 1
1 877 . 20 1 1 A 77 77 SER CA C 77 58.342 56.348 1.994 1
1 878 . 20 1 1 A 77 77 SER CB C 77 64.013 65.915 -1.902 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 70 1.009 1
2 1 1 1 "RMS(OBS, PRED)" CA 70 1.249 1
3 1 1 1 "RMS(OBS, PRED)" CB 65 1.326 1
4 1 1 1 "RMS(OBS, PRED)" H 65 0.721 1
5 1 1 1 "RMS(OBS, PRED)" HA 74 0.435 1
6 1 1 1 "RMS(OBS, PRED)" N 64 2.889 1
7 1 2 1 "RMS(OBS, PRED)" C 70 0.956 1
8 1 2 1 "RMS(OBS, PRED)" CA 70 1.249 1
9 1 2 1 "RMS(OBS, PRED)" CB 65 1.457 1
10 1 2 1 "RMS(OBS, PRED)" H 65 0.691 1
11 1 2 1 "RMS(OBS, PRED)" HA 74 0.401 1
12 1 2 1 "RMS(OBS, PRED)" N 64 2.659 1
13 1 3 1 "RMS(OBS, PRED)" C 70 0.952 1
14 1 3 1 "RMS(OBS, PRED)" CA 70 1.280 1
15 1 3 1 "RMS(OBS, PRED)" CB 65 1.219 1
16 1 3 1 "RMS(OBS, PRED)" H 65 0.679 1
17 1 3 1 "RMS(OBS, PRED)" HA 74 0.435 1
18 1 3 1 "RMS(OBS, PRED)" N 64 2.678 1
19 1 4 1 "RMS(OBS, PRED)" C 70 0.913 1
20 1 4 1 "RMS(OBS, PRED)" CA 70 1.240 1
21 1 4 1 "RMS(OBS, PRED)" CB 65 1.202 1
22 1 4 1 "RMS(OBS, PRED)" H 65 0.748 1
23 1 4 1 "RMS(OBS, PRED)" HA 74 0.412 1
24 1 4 1 "RMS(OBS, PRED)" N 64 2.976 1
25 1 5 1 "RMS(OBS, PRED)" C 70 0.982 1
26 1 5 1 "RMS(OBS, PRED)" CA 70 1.239 1
27 1 5 1 "RMS(OBS, PRED)" CB 65 1.291 1
28 1 5 1 "RMS(OBS, PRED)" H 65 0.670 1
29 1 5 1 "RMS(OBS, PRED)" HA 74 0.376 1
30 1 5 1 "RMS(OBS, PRED)" N 64 2.629 1
31 1 6 1 "RMS(OBS, PRED)" C 70 0.948 1
32 1 6 1 "RMS(OBS, PRED)" CA 70 1.261 1
33 1 6 1 "RMS(OBS, PRED)" CB 65 1.251 1
34 1 6 1 "RMS(OBS, PRED)" H 65 0.698 1
35 1 6 1 "RMS(OBS, PRED)" HA 74 0.420 1
36 1 6 1 "RMS(OBS, PRED)" N 64 2.787 1
37 1 7 1 "RMS(OBS, PRED)" C 70 0.892 1
38 1 7 1 "RMS(OBS, PRED)" CA 70 1.161 1
39 1 7 1 "RMS(OBS, PRED)" CB 65 1.199 1
40 1 7 1 "RMS(OBS, PRED)" H 65 0.676 1
41 1 7 1 "RMS(OBS, PRED)" HA 74 0.397 1
42 1 7 1 "RMS(OBS, PRED)" N 64 2.683 1
43 1 8 1 "RMS(OBS, PRED)" C 70 0.918 1
44 1 8 1 "RMS(OBS, PRED)" CA 70 1.182 1
45 1 8 1 "RMS(OBS, PRED)" CB 65 1.229 1
46 1 8 1 "RMS(OBS, PRED)" H 65 0.679 1
47 1 8 1 "RMS(OBS, PRED)" HA 74 0.413 1
48 1 8 1 "RMS(OBS, PRED)" N 64 2.636 1
49 1 9 1 "RMS(OBS, PRED)" C 70 0.963 1
50 1 9 1 "RMS(OBS, PRED)" CA 70 1.172 1
51 1 9 1 "RMS(OBS, PRED)" CB 65 1.161 1
52 1 9 1 "RMS(OBS, PRED)" H 65 0.716 1
53 1 9 1 "RMS(OBS, PRED)" HA 74 0.393 1
54 1 9 1 "RMS(OBS, PRED)" N 64 3.037 1
55 1 10 1 "RMS(OBS, PRED)" C 70 0.955 1
56 1 10 1 "RMS(OBS, PRED)" CA 70 1.241 1
57 1 10 1 "RMS(OBS, PRED)" CB 65 1.209 1
58 1 10 1 "RMS(OBS, PRED)" H 65 0.727 1
59 1 10 1 "RMS(OBS, PRED)" HA 74 0.401 1
60 1 10 1 "RMS(OBS, PRED)" N 64 2.609 1
61 1 11 1 "RMS(OBS, PRED)" C 70 0.905 1
62 1 11 1 "RMS(OBS, PRED)" CA 70 1.269 1
63 1 11 1 "RMS(OBS, PRED)" CB 65 1.133 1
64 1 11 1 "RMS(OBS, PRED)" H 65 0.671 1
65 1 11 1 "RMS(OBS, PRED)" HA 74 0.399 1
66 1 11 1 "RMS(OBS, PRED)" N 64 2.727 1
67 1 12 1 "RMS(OBS, PRED)" C 70 0.964 1
68 1 12 1 "RMS(OBS, PRED)" CA 70 1.361 1
69 1 12 1 "RMS(OBS, PRED)" CB 65 1.298 1
70 1 12 1 "RMS(OBS, PRED)" H 65 0.718 1
71 1 12 1 "RMS(OBS, PRED)" HA 74 0.425 1
72 1 12 1 "RMS(OBS, PRED)" N 64 2.714 1
73 1 13 1 "RMS(OBS, PRED)" C 70 0.943 1
74 1 13 1 "RMS(OBS, PRED)" CA 70 1.248 1
75 1 13 1 "RMS(OBS, PRED)" CB 65 1.229 1
76 1 13 1 "RMS(OBS, PRED)" H 65 0.691 1
77 1 13 1 "RMS(OBS, PRED)" HA 74 0.411 1
78 1 13 1 "RMS(OBS, PRED)" N 64 2.450 1
79 1 14 1 "RMS(OBS, PRED)" C 70 0.954 1
80 1 14 1 "RMS(OBS, PRED)" CA 70 1.280 1
81 1 14 1 "RMS(OBS, PRED)" CB 65 1.248 1
82 1 14 1 "RMS(OBS, PRED)" H 65 0.745 1
83 1 14 1 "RMS(OBS, PRED)" HA 74 0.419 1
84 1 14 1 "RMS(OBS, PRED)" N 64 2.873 1
85 1 15 1 "RMS(OBS, PRED)" C 70 0.942 1
86 1 15 1 "RMS(OBS, PRED)" CA 70 1.334 1
87 1 15 1 "RMS(OBS, PRED)" CB 65 1.319 1
88 1 15 1 "RMS(OBS, PRED)" H 65 0.712 1
89 1 15 1 "RMS(OBS, PRED)" HA 74 0.413 1
90 1 15 1 "RMS(OBS, PRED)" N 64 2.909 1
91 1 16 1 "RMS(OBS, PRED)" C 70 0.868 1
92 1 16 1 "RMS(OBS, PRED)" CA 70 1.254 1
93 1 16 1 "RMS(OBS, PRED)" CB 65 1.158 1
94 1 16 1 "RMS(OBS, PRED)" H 65 0.730 1
95 1 16 1 "RMS(OBS, PRED)" HA 74 0.418 1
96 1 16 1 "RMS(OBS, PRED)" N 64 2.824 1
97 1 17 1 "RMS(OBS, PRED)" C 70 1.016 1
98 1 17 1 "RMS(OBS, PRED)" CA 70 1.312 1
99 1 17 1 "RMS(OBS, PRED)" CB 65 1.295 1
100 1 17 1 "RMS(OBS, PRED)" H 65 0.728 1
101 1 17 1 "RMS(OBS, PRED)" HA 74 0.411 1
102 1 17 1 "RMS(OBS, PRED)" N 64 2.902 1
103 1 18 1 "RMS(OBS, PRED)" C 70 0.912 1
104 1 18 1 "RMS(OBS, PRED)" CA 70 1.229 1
105 1 18 1 "RMS(OBS, PRED)" CB 65 1.130 1
106 1 18 1 "RMS(OBS, PRED)" H 65 0.701 1
107 1 18 1 "RMS(OBS, PRED)" HA 74 0.384 1
108 1 18 1 "RMS(OBS, PRED)" N 64 2.578 1
109 1 19 1 "RMS(OBS, PRED)" C 70 0.950 1
110 1 19 1 "RMS(OBS, PRED)" CA 70 1.314 1
111 1 19 1 "RMS(OBS, PRED)" CB 65 1.248 1
112 1 19 1 "RMS(OBS, PRED)" H 65 0.726 1
113 1 19 1 "RMS(OBS, PRED)" HA 74 0.405 1
114 1 19 1 "RMS(OBS, PRED)" N 64 2.904 1
115 1 20 1 "RMS(OBS, PRED)" C 70 0.906 1
116 1 20 1 "RMS(OBS, PRED)" CA 70 1.339 1
117 1 20 1 "RMS(OBS, PRED)" CB 65 1.317 1
118 1 20 1 "RMS(OBS, PRED)" H 65 0.684 1
119 1 20 1 "RMS(OBS, PRED)" HA 74 0.414 1
120 1 20 1 "RMS(OBS, PRED)" N 64 2.814 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY HA2 H 7 3.892 4.012 -0.120 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.892 4.016 -0.124 2
1 3 . 1 1 A 7 7 GLY C C 7 173.405 172.848 0.557 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.070 45.826 -0.756 2
1 5 . 1 1 A 8 8 LYS H H 8 7.913 8.252 -0.339 2
1 6 . 1 1 A 8 8 LYS HA H 8 4.031 4.569 -0.538 2
1 15 . 1 1 A 8 8 LYS C C 8 175.501 174.742 0.759 2
1 16 . 1 1 A 8 8 LYS CA C 8 55.765 55.497 0.268 2
1 17 . 1 1 A 8 8 LYS CB C 8 33.046 34.288 -1.242 2
1 21 . 1 1 A 8 8 LYS N N 8 121.849 122.763 -0.914 2
1 22 . 1 1 A 9 9 VAL H H 9 8.175 8.624 -0.449 2
1 23 . 1 1 A 9 9 VAL HA H 9 4.082 4.616 -0.534 2
1 31 . 1 1 A 9 9 VAL C C 9 175.680 174.499 1.181 2
1 32 . 1 1 A 9 9 VAL CA C 9 61.571 60.566 1.005 2
1 33 . 1 1 A 9 9 VAL CB C 9 32.224 34.006 -1.782 2
1 36 . 1 1 A 9 9 VAL N N 9 125.536 125.623 -0.087 2
1 37 . 1 1 A 10 10 TRP H H 10 8.125 8.906 -0.781 2
1 38 . 1 1 A 10 10 TRP HA H 10 4.667 5.171 -0.504 2
1 47 . 1 1 A 10 10 TRP C C 10 174.859 175.907 -1.048 2
1 48 . 1 1 A 10 10 TRP CA C 10 57.088 56.823 0.265 2
1 49 . 1 1 A 10 10 TRP CB C 10 31.730 31.711 0.019 2
1 55 . 1 1 A 10 10 TRP N N 10 127.817 128.814 -0.997 2
1 57 . 1 1 A 11 11 LYS H H 11 9.090 9.162 -0.072 2
1 58 . 1 1 A 11 11 LYS HA H 11 4.856 4.956 -0.100 2
1 67 . 1 1 A 11 11 LYS C C 11 172.968 173.703 -0.735 2
1 68 . 1 1 A 11 11 LYS CA C 11 53.330 53.886 -0.556 2
1 69 . 1 1 A 11 11 LYS CB C 11 33.827 35.777 -1.950 2
1 73 . 1 1 A 11 11 LYS N N 11 120.688 119.235 1.453 2
1 74 . 1 1 A 12 12 PRO HA H 12 3.894 4.492 -0.598 2
1 81 . 1 1 A 12 12 PRO C C 12 177.287 177.583 -0.296 2
1 82 . 1 1 A 12 12 PRO CA C 12 63.812 63.691 0.121 2
1 83 . 1 1 A 12 12 PRO CB C 12 31.278 31.178 0.100 2
1 86 . 1 1 A 13 13 GLY H H 13 9.494 8.741 0.753 2
1 87 . 1 1 A 13 13 GLY HA2 H 13 4.431 4.041 0.390 2
1 88 . 1 1 A 13 13 GLY HA3 H 13 3.746 4.044 -0.298 2
1 89 . 1 1 A 13 13 GLY C C 13 174.798 173.534 1.264 2
1 90 . 1 1 A 13 13 GLY CA C 13 44.559 45.284 -0.725 2
1 91 . 1 1 A 13 13 GLY N N 13 114.764 112.739 2.025 2
1 92 . 1 1 A 14 14 ASP H H 14 8.005 7.985 0.020 2
1 93 . 1 1 A 14 14 ASP HA H 14 4.665 4.997 -0.332 2
1 96 . 1 1 A 14 14 ASP C C 14 176.143 175.514 0.629 2
1 97 . 1 1 A 14 14 ASP CA C 14 55.553 53.227 2.326 2
1 98 . 1 1 A 14 14 ASP CB C 14 41.600 43.876 -2.276 2
1 99 . 1 1 A 14 14 ASP N N 14 121.257 120.052 1.205 2
1 100 . 1 1 A 15 15 GLU H H 15 8.645 8.765 -0.120 2
1 101 . 1 1 A 15 15 GLU HA H 15 4.852 4.530 0.322 2
1 106 . 1 1 A 15 15 GLU C C 15 175.679 176.445 -0.766 2
1 107 . 1 1 A 15 15 GLU CA C 15 55.783 56.804 -1.021 2
1 108 . 1 1 A 15 15 GLU CB C 15 31.295 29.909 1.386 2
1 110 . 1 1 A 15 15 GLU N N 15 121.409 124.034 -2.625 2
1 111 . 1 1 A 16 16 CYS H H 16 8.735 9.107 -0.372 2
1 112 . 1 1 A 16 16 CYS HA H 16 5.086 5.147 -0.061 2
1 115 . 1 1 A 16 16 CYS C C 16 172.636 172.883 -0.247 2
1 116 . 1 1 A 16 16 CYS CA C 16 56.418 56.497 -0.079 2
1 117 . 1 1 A 16 16 CYS CB C 16 32.553 31.390 1.163 2
1 118 . 1 1 A 16 16 CYS N N 16 116.207 120.814 -4.607 2
1 119 . 1 1 A 17 17 PHE H H 17 9.125 9.056 0.069 2
1 120 . 1 1 A 17 17 PHE HA H 17 5.235 5.597 -0.362 2
1 128 . 1 1 A 17 17 PHE C C 17 174.823 175.010 -0.187 2
1 129 . 1 1 A 17 17 PHE CA C 17 57.547 56.959 0.588 2
1 130 . 1 1 A 17 17 PHE CB C 17 42.053 40.671 1.382 2
1 136 . 1 1 A 17 17 PHE N N 17 116.836 119.680 -2.844 2
1 137 . 1 1 A 18 18 ALA H H 18 9.373 9.068 0.305 2
1 138 . 1 1 A 18 18 ALA HA H 18 5.552 5.394 0.158 2
1 142 . 1 1 A 18 18 ALA C C 18 175.841 176.056 -0.215 2
1 143 . 1 1 A 18 18 ALA CA C 18 50.147 50.050 0.097 2
1 144 . 1 1 A 18 18 ALA CB C 18 23.798 21.644 2.154 2
1 145 . 1 1 A 18 18 ALA N N 18 122.751 127.034 -4.283 2
1 146 . 1 1 A 19 19 LEU H H 19 7.487 8.524 -1.037 2
1 147 . 1 1 A 19 19 LEU HA H 19 3.514 4.742 -1.228 2
1 157 . 1 1 A 19 19 LEU C C 19 175.598 176.480 -0.882 2
1 158 . 1 1 A 19 19 LEU CA C 19 55.165 54.814 0.351 2
1 159 . 1 1 A 19 19 LEU CB C 19 43.656 42.759 0.897 2
1 163 . 1 1 A 19 19 LEU N N 19 123.529 125.397 -1.868 2
1 164 . 1 1 A 20 20 TYR H H 20 9.405 8.584 0.821 2
1 165 . 1 1 A 20 20 TYR HA H 20 4.939 4.727 0.212 2
1 172 . 1 1 A 20 20 TYR C C 20 176.593 177.052 -0.459 2
1 173 . 1 1 A 20 20 TYR CA C 20 55.201 59.116 -3.915 2
1 174 . 1 1 A 20 20 TYR CB C 20 37.899 39.200 -1.301 2
1 179 . 1 1 A 20 20 TYR N N 20 132.207 126.892 5.315 2
1 180 . 1 1 A 21 21 TRP H H 21 8.475 7.946 0.529 2
1 181 . 1 1 A 21 21 TRP HA H 21 4.087 4.606 -0.519 2
1 190 . 1 1 A 21 21 TRP C C 21 177.283 176.672 0.611 2
1 191 . 1 1 A 21 21 TRP CA C 21 58.695 57.550 1.145 2
1 192 . 1 1 A 21 21 TRP CB C 21 28.111 29.865 -1.754 2
1 198 . 1 1 A 21 21 TRP N N 21 128.228 126.096 2.132 2
1 200 . 1 1 A 22 22 GLU H H 22 4.195 7.108 -2.913 2
1 201 . 1 1 A 22 22 GLU HA H 22 2.895 4.177 -1.282 2
1 206 . 1 1 A 22 22 GLU C C 22 176.342 176.661 -0.319 2
1 207 . 1 1 A 22 22 GLU CA C 22 59.753 56.057 3.696 2
1 208 . 1 1 A 22 22 GLU CB C 22 29.468 30.482 -1.013 2
1 210 . 1 1 A 22 22 GLU N N 22 117.591 118.825 -1.234 2
1 211 . 1 1 A 23 23 ASP H H 23 6.695 7.850 -1.155 2
1 212 . 1 1 A 23 23 ASP HA H 23 4.554 4.793 -0.239 2
1 215 . 1 1 A 23 23 ASP C C 23 176.047 175.905 0.142 2
1 216 . 1 1 A 23 23 ASP CA C 23 51.970 53.989 -2.019 2
1 217 . 1 1 A 23 23 ASP CB C 23 41.353 42.917 -1.564 2
1 218 . 1 1 A 23 23 ASP N N 23 112.180 117.083 -4.903 2
1 219 . 1 1 A 24 24 ASN H H 24 8.248 8.020 0.228 2
1 220 . 1 1 A 24 24 ASN HA H 24 4.055 4.501 -0.446 2
1 225 . 1 1 A 24 24 ASN C C 24 173.702 173.706 -0.004 2
1 226 . 1 1 A 24 24 ASN CA C 24 54.794 54.309 0.485 2
1 227 . 1 1 A 24 24 ASN CB C 24 37.940 36.633 1.307 2
1 228 . 1 1 A 24 24 ASN N N 24 116.693 115.931 0.762 2
1 230 . 1 1 A 25 25 LYS H H 25 7.604 7.518 0.086 2
1 231 . 1 1 A 25 25 LYS HA H 25 4.502 4.514 -0.012 2
1 240 . 1 1 A 25 25 LYS C C 25 174.726 175.268 -0.542 2
1 241 . 1 1 A 25 25 LYS CA C 25 54.565 54.262 0.303 2
1 242 . 1 1 A 25 25 LYS CB C 25 35.143 34.365 0.778 2
1 246 . 1 1 A 25 25 LYS N N 25 116.646 117.797 -1.151 2
1 247 . 1 1 A 26 26 PHE H H 26 8.361 8.389 -0.028 2
1 248 . 1 1 A 26 26 PHE HA H 26 5.005 4.640 0.365 2
1 256 . 1 1 A 26 26 PHE C C 26 176.228 175.810 0.418 2
1 257 . 1 1 A 26 26 PHE CA C 26 58.236 58.761 -0.525 2
1 258 . 1 1 A 26 26 PHE CB C 26 41.148 39.467 1.681 2
1 264 . 1 1 A 26 26 PHE N N 26 118.446 120.743 -2.297 2
1 265 . 1 1 A 27 27 TYR H H 27 8.851 8.957 -0.106 2
1 266 . 1 1 A 27 27 TYR HA H 27 5.045 5.211 -0.166 2
1 273 . 1 1 A 27 27 TYR C C 27 175.380 175.093 0.287 2
1 274 . 1 1 A 27 27 TYR CA C 27 56.594 56.576 0.018 2
1 275 . 1 1 A 27 27 TYR CB C 27 43.856 42.323 1.533 2
1 280 . 1 1 A 27 27 TYR N N 27 118.823 122.472 -3.649 2
1 281 . 1 1 A 28 28 ARG H H 28 9.026 8.576 0.450 2
1 282 . 1 1 A 28 28 ARG HA H 28 4.202 3.303 0.899 2
1 290 . 1 1 A 28 28 ARG C C 28 175.789 175.502 0.287 2
1 291 . 1 1 A 28 28 ARG CA C 28 57.142 56.763 0.379 2
1 292 . 1 1 A 28 28 ARG CB C 28 30.291 30.936 -0.645 2
1 295 . 1 1 A 28 28 ARG N N 28 122.262 123.712 -1.450 2
1 297 . 1 1 A 29 29 ALA H H 29 9.157 8.430 0.727 2
1 298 . 1 1 A 29 29 ALA HA H 29 5.098 4.964 0.134 2
1 302 . 1 1 A 29 29 ALA C C 29 175.247 175.011 0.236 2
1 303 . 1 1 A 29 29 ALA CA C 29 51.188 51.246 -0.058 2
1 304 . 1 1 A 29 29 ALA CB C 29 23.153 22.927 0.226 2
1 305 . 1 1 A 29 29 ALA N N 29 126.768 126.677 0.091 2
1 306 . 1 1 A 30 30 GLU H H 30 8.167 8.693 -0.526 2
1 307 . 1 1 A 30 30 GLU HA H 30 5.085 4.785 0.300 2
1 312 . 1 1 A 30 30 GLU C C 30 176.265 174.983 1.282 2
1 313 . 1 1 A 30 30 GLU CA C 30 53.948 55.296 -1.348 2
1 314 . 1 1 A 30 30 GLU CB C 30 33.622 33.436 0.186 2
1 316 . 1 1 A 30 30 GLU N N 30 118.036 118.323 -0.287 2
1 317 . 1 1 A 31 31 VAL H H 31 8.961 8.821 0.140 2
1 318 . 1 1 A 31 31 VAL HA H 31 3.545 3.902 -0.357 2
1 326 . 1 1 A 31 31 VAL C C 31 175.369 175.948 -0.579 2
1 327 . 1 1 A 31 31 VAL CA C 31 64.571 63.387 1.184 2
1 328 . 1 1 A 31 31 VAL CB C 31 31.678 31.184 0.494 2
1 331 . 1 1 A 31 31 VAL N N 31 124.010 127.315 -3.305 2
1 332 . 1 1 A 32 32 GLU H H 32 9.483 9.222 0.261 2
1 333 . 1 1 A 32 32 GLU HA H 32 4.627 4.313 0.314 2
1 338 . 1 1 A 32 32 GLU C C 32 175.695 176.180 -0.485 2
1 339 . 1 1 A 32 32 GLU CA C 32 56.841 58.392 -1.551 2
1 340 . 1 1 A 32 32 GLU CB C 32 30.661 30.699 -0.038 2
1 342 . 1 1 A 32 32 GLU N N 32 130.912 129.486 1.426 2
1 343 . 1 1 A 33 33 ALA H H 33 7.838 7.515 0.323 2
1 344 . 1 1 A 33 33 ALA HA H 33 4.456 4.687 -0.231 2
1 348 . 1 1 A 33 33 ALA C C 33 174.956 175.812 -0.856 2
1 349 . 1 1 A 33 33 ALA CA C 33 51.777 51.659 0.118 2
1 350 . 1 1 A 33 33 ALA CB C 33 22.189 22.663 -0.474 2
1 351 . 1 1 A 33 33 ALA N N 33 117.714 119.011 -1.297 2
1 352 . 1 1 A 34 34 LEU H H 34 8.954 8.729 0.225 2
1 353 . 1 1 A 34 34 LEU HA H 34 4.702 4.640 0.062 2
1 363 . 1 1 A 34 34 LEU C C 34 176.325 176.652 -0.327 2
1 364 . 1 1 A 34 34 LEU CA C 34 53.559 54.253 -0.694 2
1 365 . 1 1 A 34 34 LEU CB C 34 42.381 42.775 -0.394 2
1 369 . 1 1 A 34 34 LEU N N 34 122.418 122.615 -0.197 2
1 370 . 1 1 A 35 35 HIS H H 35 8.022 8.368 -0.346 2
1 371 . 1 1 A 35 35 HIS HA H 35 4.544 4.871 -0.327 2
1 376 . 1 1 A 35 35 HIS C C 35 178.300 175.942 2.358 2
1 377 . 1 1 A 35 35 HIS CA C 35 57.706 55.519 2.187 2
1 378 . 1 1 A 35 35 HIS CB C 35 32.594 31.501 1.093 2
1 381 . 1 1 A 35 35 HIS N N 35 123.729 121.896 1.833 2
1 382 . 1 1 A 37 37 SER H H 37 10.111 7.475 2.636 2
1 383 . 1 1 A 37 37 SER HA H 37 4.339 4.185 0.154 2
1 386 . 1 1 A 37 37 SER C C 37 176.434 174.779 1.655 2
1 387 . 1 1 A 37 37 SER CA C 37 59.895 60.849 -0.954 2
1 388 . 1 1 A 37 37 SER CB C 37 63.665 63.668 -0.003 2
1 389 . 1 1 A 37 37 SER N N 37 119.788 115.059 4.729 2
1 390 . 1 1 A 38 38 GLY H H 38 8.136 7.992 0.144 2
1 391 . 1 1 A 38 38 GLY HA2 H 38 4.257 4.065 0.192 2
1 392 . 1 1 A 38 38 GLY HA3 H 38 3.981 4.089 -0.108 2
1 393 . 1 1 A 38 38 GLY C C 38 174.441 174.551 -0.110 2
1 394 . 1 1 A 38 38 GLY CA C 38 46.006 45.778 0.228 2
1 395 . 1 1 A 38 38 GLY N N 38 108.557 108.120 0.437 2
1 396 . 1 1 A 39 39 MET H H 39 8.180 8.215 -0.035 2
1 397 . 1 1 A 39 39 MET HA H 39 4.789 4.689 0.100 2
1 405 . 1 1 A 39 39 MET C C 39 177.404 176.060 1.344 2
1 406 . 1 1 A 39 39 MET CA C 39 55.889 56.376 -0.487 2
1 407 . 1 1 A 39 39 MET CB C 39 34.033 35.284 -1.251 2
1 410 . 1 1 A 39 39 MET N N 39 113.829 116.452 -2.623 2
1 411 . 1 1 A 40 40 THR H H 40 7.174 8.118 -0.944 2
1 412 . 1 1 A 40 40 THR HA H 40 5.182 5.013 0.169 2
1 417 . 1 1 A 40 40 THR C C 40 172.981 173.584 -0.603 2
1 418 . 1 1 A 40 40 THR CA C 40 59.559 60.054 -0.496 2
1 419 . 1 1 A 40 40 THR CB C 40 73.120 71.802 1.318 2
1 421 . 1 1 A 40 40 THR N N 40 108.160 109.567 -1.407 2
1 422 . 1 1 A 41 41 ALA H H 41 9.245 8.439 0.806 2
1 423 . 1 1 A 41 41 ALA HA H 41 4.932 4.891 0.042 2
1 427 . 1 1 A 41 41 ALA C C 41 175.635 176.113 -0.478 2
1 428 . 1 1 A 41 41 ALA CA C 41 50.417 51.511 -1.094 2
1 429 . 1 1 A 41 41 ALA CB C 41 22.600 23.131 -0.531 2
1 430 . 1 1 A 41 41 ALA N N 41 122.138 121.872 0.266 2
1 431 . 1 1 A 42 42 VAL H H 42 8.773 8.878 -0.105 2
1 432 . 1 1 A 42 42 VAL HA H 42 4.789 4.297 0.492 2
1 440 . 1 1 A 42 42 VAL C C 42 176.410 175.627 0.783 2
1 441 . 1 1 A 42 42 VAL CA C 42 62.083 62.620 -0.537 2
1 442 . 1 1 A 42 42 VAL CB C 42 32.776 31.424 1.352 2
1 445 . 1 1 A 42 42 VAL N N 42 120.320 121.039 -0.719 2
1 446 . 1 1 A 43 43 VAL H H 43 9.224 8.659 0.565 2
1 447 . 1 1 A 43 43 VAL HA H 43 5.013 4.931 0.082 2
1 455 . 1 1 A 43 43 VAL C C 43 172.532 173.842 -1.310 2
1 456 . 1 1 A 43 43 VAL CA C 43 57.812 59.166 -1.354 2
1 457 . 1 1 A 43 43 VAL CB C 43 34.280 34.343 -0.063 2
1 460 . 1 1 A 43 43 VAL N N 43 121.151 122.190 -1.039 2
1 461 . 1 1 A 44 44 LYS H H 44 8.645 8.657 -0.012 2
1 462 . 1 1 A 44 44 LYS HA H 44 4.627 4.831 -0.204 2
1 471 . 1 1 A 44 44 LYS C C 44 177.419 175.573 1.846 2
1 472 . 1 1 A 44 44 LYS CA C 44 53.612 54.619 -1.007 2
1 473 . 1 1 A 44 44 LYS CB C 44 35.143 34.799 0.344 2
1 477 . 1 1 A 44 44 LYS N N 44 121.425 123.814 -2.389 2
1 478 . 1 1 A 45 45 PHE H H 45 8.823 8.887 -0.064 2
1 479 . 1 1 A 45 45 PHE HA H 45 4.505 4.675 -0.170 2
1 487 . 1 1 A 45 45 PHE C C 45 177.585 176.225 1.360 2
1 488 . 1 1 A 45 45 PHE CA C 45 59.841 58.149 1.692 2
1 489 . 1 1 A 45 45 PHE CB C 45 38.598 39.704 -1.106 2
1 495 . 1 1 A 45 45 PHE N N 45 128.232 125.722 2.510 2
1 496 . 1 1 A 46 46 THR H H 46 8.281 8.666 -0.385 2
1 497 . 1 1 A 46 46 THR HA H 46 3.738 4.132 -0.394 2
1 502 . 1 1 A 46 46 THR C C 46 176.410 175.880 0.530 2
1 503 . 1 1 A 46 46 THR CA C 46 65.930 64.994 0.936 2
1 504 . 1 1 A 46 46 THR CB C 46 68.743 69.061 -0.318 2
1 506 . 1 1 A 46 46 THR N N 46 120.729 119.324 1.405 2
1 507 . 1 1 A 47 47 ASP H H 47 9.166 8.332 0.834 2
1 508 . 1 1 A 47 47 ASP HA H 47 4.300 4.018 0.282 2
1 511 . 1 1 A 47 47 ASP C C 47 176.844 177.158 -0.314 2
1 512 . 1 1 A 47 47 ASP CA C 47 57.283 57.190 0.093 2
1 513 . 1 1 A 47 47 ASP CB C 47 40.037 40.246 -0.209 2
1 514 . 1 1 A 47 47 ASP N N 47 120.635 120.795 -0.160 2
1 515 . 1 1 A 48 48 TYR H H 48 7.676 7.560 0.116 2
1 516 . 1 1 A 48 48 TYR HA H 48 4.605 4.634 -0.029 2
1 523 . 1 1 A 48 48 TYR C C 48 177.343 176.135 1.208 2
1 524 . 1 1 A 48 48 TYR CA C 48 57.777 58.513 -0.736 2
1 525 . 1 1 A 48 48 TYR CB C 48 39.914 40.680 -0.766 2
1 530 . 1 1 A 48 48 TYR N N 48 114.763 113.927 0.836 2
1 531 . 1 1 A 49 49 GLY H H 49 8.065 8.273 -0.208 2
1 532 . 1 1 A 49 49 GLY HA2 H 49 4.023 4.022 0.001 2
1 533 . 1 1 A 49 49 GLY HA3 H 49 3.571 4.030 -0.459 2
1 534 . 1 1 A 49 49 GLY C C 49 172.707 174.188 -1.481 2
1 535 . 1 1 A 49 49 GLY CA C 49 46.165 45.323 0.842 2
1 536 . 1 1 A 49 49 GLY N N 49 107.679 107.339 0.340 2
1 537 . 1 1 A 50 50 ASN H H 50 8.836 8.086 0.750 2
1 538 . 1 1 A 50 50 ASN HA H 50 4.777 5.118 -0.341 2
1 543 . 1 1 A 50 50 ASN C C 50 173.696 173.681 0.015 2
1 544 . 1 1 A 50 50 ASN CA C 50 52.747 51.508 1.239 2
1 545 . 1 1 A 50 50 ASN CB C 50 37.710 41.063 -3.353 2
1 546 . 1 1 A 50 50 ASN N N 50 114.795 116.554 -1.759 2
1 548 . 1 1 A 51 51 TYR H H 51 8.726 8.653 0.073 2
1 549 . 1 1 A 51 51 TYR HA H 51 5.696 5.076 0.620 2
1 556 . 1 1 A 51 51 TYR C C 51 176.871 175.701 1.170 2
1 557 . 1 1 A 51 51 TYR CA C 51 56.789 58.066 -1.277 2
1 558 . 1 1 A 51 51 TYR CB C 51 40.037 40.176 -0.139 2
1 563 . 1 1 A 51 51 TYR N N 51 120.703 121.570 -0.867 2
1 564 . 1 1 A 52 52 GLU H H 52 8.995 9.036 -0.041 2
1 565 . 1 1 A 52 52 GLU HA H 52 4.981 5.002 -0.021 2
1 570 . 1 1 A 52 52 GLU C C 52 174.629 175.140 -0.511 2
1 571 . 1 1 A 52 52 GLU CA C 52 54.070 55.389 -1.319 2
1 572 . 1 1 A 52 52 GLU CB C 52 34.814 33.858 0.956 2
1 574 . 1 1 A 52 52 GLU N N 52 118.929 121.418 -2.489 2
1 575 . 1 1 A 53 53 GLU H H 53 8.995 8.681 0.314 2
1 576 . 1 1 A 53 53 GLU HA H 53 5.175 4.582 0.593 2
1 581 . 1 1 A 53 53 GLU C C 53 176.301 175.413 0.888 2
1 582 . 1 1 A 53 53 GLU CA C 53 55.500 56.319 -0.819 2
1 583 . 1 1 A 53 53 GLU CB C 53 30.537 30.089 0.448 2
1 585 . 1 1 A 53 53 GLU N N 53 122.819 124.892 -2.073 2
1 586 . 1 1 A 54 54 VAL H H 54 9.375 8.252 1.123 2
1 587 . 1 1 A 54 54 VAL HA H 54 4.739 4.700 0.039 2
1 595 . 1 1 A 54 54 VAL C C 54 175.017 175.041 -0.024 2
1 596 . 1 1 A 54 54 VAL CA C 54 59.647 60.687 -1.040 2
1 597 . 1 1 A 54 54 VAL CB C 54 36.171 35.694 0.477 2
1 600 . 1 1 A 54 54 VAL N N 54 125.177 126.785 -1.608 2
1 601 . 1 1 A 55 55 LEU H H 55 8.744 8.526 0.218 2
1 602 . 1 1 A 55 55 LEU HA H 55 4.500 4.436 0.064 2
1 612 . 1 1 A 55 55 LEU C C 55 179.440 178.485 0.955 2
1 613 . 1 1 A 55 55 LEU CA C 55 55.495 54.874 0.621 2
1 614 . 1 1 A 55 55 LEU CB C 55 42.628 42.135 0.493 2
1 618 . 1 1 A 55 55 LEU N N 55 123.920 125.840 -1.920 2
1 619 . 1 1 A 56 56 LEU H H 56 8.324 8.711 -0.387 2
1 620 . 1 1 A 56 56 LEU HA H 56 3.855 4.060 -0.205 2
1 630 . 1 1 A 56 56 LEU C C 56 178.810 178.687 0.123 2
1 631 . 1 1 A 56 56 LEU CA C 56 57.883 57.549 0.334 2
1 632 . 1 1 A 56 56 LEU CB C 56 41.330 41.576 -0.246 2
1 636 . 1 1 A 56 56 LEU N N 56 123.383 123.204 0.179 2
1 637 . 1 1 A 57 57 SER H H 57 7.886 8.121 -0.235 2
1 638 . 1 1 A 57 57 SER HA H 57 4.364 4.455 -0.091 2
1 641 . 1 1 A 57 57 SER C C 57 174.944 175.299 -0.355 2
1 642 . 1 1 A 57 57 SER CA C 57 59.859 60.445 -0.586 2
1 643 . 1 1 A 57 57 SER CB C 57 62.509 63.051 -0.542 2
1 644 . 1 1 A 57 57 SER N N 57 109.927 114.332 -4.405 2
1 645 . 1 1 A 58 58 ASN H H 58 8.085 8.117 -0.032 2
1 646 . 1 1 A 58 58 ASN HA H 58 5.275 5.059 0.216 2
1 651 . 1 1 A 58 58 ASN C C 58 172.402 173.798 -1.396 2
1 652 . 1 1 A 58 58 ASN CA C 58 52.535 53.189 -0.654 2
1 653 . 1 1 A 58 58 ASN CB C 58 39.585 39.276 0.309 2
1 654 . 1 1 A 58 58 ASN N N 58 120.812 117.235 3.577 2
1 656 . 1 1 A 59 59 ILE H H 59 7.291 7.336 -0.045 2
1 657 . 1 1 A 59 59 ILE HA H 59 5.125 5.207 -0.082 2
1 667 . 1 1 A 59 59 ILE C C 59 174.980 174.821 0.158 2
1 668 . 1 1 A 59 59 ILE CA C 59 60.659 59.882 0.777 2
1 669 . 1 1 A 59 59 ILE CB C 59 39.996 40.613 -0.617 2
1 673 . 1 1 A 59 59 ILE N N 59 115.444 121.406 -5.962 2
1 674 . 1 1 A 60 60 LYS H H 60 9.366 8.886 0.480 2
1 675 . 1 1 A 60 60 LYS HA H 60 5.300 4.957 0.343 2
1 684 . 1 1 A 60 60 LYS C C 60 173.381 174.376 -0.995 2
1 685 . 1 1 A 60 60 LYS CA C 60 52.977 52.780 0.197 2
1 686 . 1 1 A 60 60 LYS CB C 60 34.814 34.287 0.527 2
1 690 . 1 1 A 60 60 LYS N N 60 122.819 126.338 -3.519 2
1 691 . 1 1 A 61 61 PRO HA H 61 5.027 5.063 -0.036 2
1 698 . 1 1 A 61 61 PRO C C 61 176.256 176.529 -0.273 2
1 699 . 1 1 A 61 61 PRO CA C 61 62.754 62.961 -0.207 2
1 700 . 1 1 A 61 61 PRO CB C 61 32.594 32.112 0.482 2
1 703 . 1 1 A 62 62 VAL H H 62 8.525 8.446 0.079 2
1 704 . 1 1 A 62 62 VAL HA H 62 3.969 4.437 -0.468 2
1 712 . 1 1 A 62 62 VAL C C 62 176.192 175.670 0.522 2
1 713 . 1 1 A 62 62 VAL CA C 62 62.895 61.629 1.266 2
1 714 . 1 1 A 62 62 VAL CB C 62 32.059 33.121 -1.062 2
1 717 . 1 1 A 62 62 VAL N N 62 117.807 123.023 -5.216 2
1 718 . 1 1 A 63 63 GLN H H 63 7.815 8.530 -0.715 2
1 719 . 1 1 A 63 63 GLN HA H 63 4.415 4.427 -0.012 2
1 726 . 1 1 A 63 63 GLN C C 63 175.716 175.528 0.188 2
1 727 . 1 1 A 63 63 GLN CA C 63 55.535 56.331 -0.796 2
1 728 . 1 1 A 63 63 GLN CB C 63 29.468 29.360 0.108 2
1 730 . 1 1 A 63 63 GLN N N 63 122.188 126.361 -4.173 2
1 732 . 1 1 A 64 64 THR H H 64 8.185 8.593 -0.408 2
1 733 . 1 1 A 64 64 THR HA H 64 4.154 4.756 -0.602 2
1 738 . 1 1 A 64 64 THR C C 64 174.616 173.705 0.911 2
1 739 . 1 1 A 64 64 THR CA C 64 62.277 61.258 1.019 2
1 740 . 1 1 A 64 64 THR CB C 64 69.565 70.231 -0.666 2
1 742 . 1 1 A 64 64 THR N N 64 116.169 117.772 -1.603 2
1 743 . 1 1 A 65 65 GLU H H 65 8.460 8.715 -0.255 2
1 744 . 1 1 A 65 65 GLU HA H 65 4.174 4.645 -0.471 2
1 749 . 1 1 A 65 65 GLU C C 65 176.216 176.421 -0.205 2
1 750 . 1 1 A 65 65 GLU CA C 65 56.647 55.862 0.785 2
1 751 . 1 1 A 65 65 GLU CB C 65 30.044 29.409 0.635 2
1 753 . 1 1 A 65 65 GLU N N 65 123.014 125.110 -2.096 2
1 754 . 1 1 A 66 66 ALA H H 66 8.245 8.446 -0.201 2
1 755 . 1 1 A 66 66 ALA HA H 66 4.205 4.461 -0.256 2
1 759 . 1 1 A 66 66 ALA C C 66 177.258 177.018 0.240 2
1 760 . 1 1 A 66 66 ALA CA C 66 52.730 51.857 0.873 2
1 761 . 1 1 A 66 66 ALA CB C 66 19.064 18.718 0.346 2
1 762 . 1 1 A 66 66 ALA N N 66 124.251 124.990 -0.739 2
1 763 . 1 1 A 67 67 TRP H H 67 7.875 7.876 -0.001 2
1 764 . 1 1 A 67 67 TRP HA H 67 4.609 4.666 -0.057 2
1 772 . 1 1 A 67 67 TRP C C 67 175.889 176.047 -0.158 2
1 773 . 1 1 A 67 67 TRP CA C 67 57.106 57.599 -0.493 2
1 774 . 1 1 A 67 67 TRP CB C 67 29.427 30.095 -0.668 2
1 779 . 1 1 A 67 67 TRP N N 67 119.568 119.185 0.383 2
1 781 . 1 1 A 68 68 VAL H H 68 7.815 8.554 -0.739 2
1 782 . 1 1 A 68 68 VAL HA H 68 3.917 4.490 -0.573 2
1 790 . 1 1 A 68 68 VAL C C 68 175.368 175.086 0.282 2
1 791 . 1 1 A 68 68 VAL CA C 68 62.189 61.133 1.056 2
1 792 . 1 1 A 68 68 VAL CB C 68 32.981 33.477 -0.496 2
1 795 . 1 1 A 68 68 VAL N N 68 122.485 121.521 0.964 2
1 796 . 1 1 A 69 69 ARG H H 69 8.084 8.658 -0.574 2
1 797 . 1 1 A 69 69 ARG HA H 69 4.107 4.500 -0.393 2
1 804 . 1 1 A 69 69 ARG C C 69 175.465 175.119 0.346 2
1 805 . 1 1 A 69 69 ARG CA C 69 55.841 56.150 -0.309 2
1 806 . 1 1 A 69 69 ARG CB C 69 30.949 31.335 -0.386 2
1 809 . 1 1 A 69 69 ARG N N 69 124.540 126.140 -1.600 2
1 810 . 1 1 A 70 70 ASP H H 70 8.365 8.420 -0.055 2
1 811 . 1 1 A 70 70 ASP HA H 70 4.780 4.960 -0.180 2
1 814 . 1 1 A 70 70 ASP C C 70 175.319 174.662 0.657 2
1 815 . 1 1 A 70 70 ASP CA C 70 51.882 51.805 0.077 2
1 816 . 1 1 A 70 70 ASP CB C 70 41.312 42.167 -0.855 2
1 817 . 1 1 A 70 70 ASP N N 70 123.498 122.242 1.256 2
1 818 . 1 1 A 71 71 PRO HA H 71 4.355 4.605 -0.250 2
1 825 . 1 1 A 71 71 PRO C C 71 177.091 176.213 0.878 2
1 826 . 1 1 A 71 71 PRO CA C 71 63.777 62.973 0.804 2
1 827 . 1 1 A 71 71 PRO CB C 71 32.118 32.351 -0.233 2
1 830 . 1 1 A 72 72 ASN H H 72 8.521 8.310 0.211 2
1 831 . 1 1 A 72 72 ASN HA H 72 4.764 4.960 -0.196 2
1 836 . 1 1 A 72 72 ASN C C 72 175.312 174.910 0.402 2
1 837 . 1 1 A 72 72 ASN CA C 72 53.471 52.861 0.610 2
1 838 . 1 1 A 72 72 ASN CB C 72 38.869 39.937 -1.067 2
1 839 . 1 1 A 72 72 ASN N N 72 117.256 117.898 -0.642 2
1 841 . 1 1 A 73 73 SER H H 73 7.937 8.586 -0.649 2
1 842 . 1 1 A 73 73 SER HA H 73 4.429 4.620 -0.191 2
1 845 . 1 1 A 73 73 SER C C 73 174.532 174.439 0.093 2
1 846 . 1 1 A 73 73 SER CA C 73 58.642 58.610 0.032 2
1 847 . 1 1 A 73 73 SER CB C 73 64.137 64.341 -0.204 2
1 848 . 1 1 A 73 73 SER N N 73 115.503 117.025 -1.522 2
1 849 . 1 1 A 74 74 GLY H H 74 8.206 8.249 -0.043 2
1 850 . 1 1 A 74 74 GLY HA2 H 74 4.071 4.101 -0.030 2
1 851 . 1 1 A 74 74 GLY HA3 H 74 4.123 4.107 0.016 2
1 852 . 1 1 A 74 74 GLY C C 74 171.781 173.217 -1.436 2
1 853 . 1 1 A 74 74 GLY CA C 74 44.682 45.484 -0.802 2
1 854 . 1 1 A 74 74 GLY N N 74 110.659 110.081 0.578 2
1 855 . 1 1 A 75 75 PRO HA H 75 4.446 4.605 -0.159 2
1 862 . 1 1 A 75 75 PRO C C 75 177.407 176.249 1.158 2
1 863 . 1 1 A 75 75 PRO CA C 75 63.212 62.879 0.333 2
1 864 . 1 1 A 75 75 PRO CB C 75 32.182 31.995 0.187 2
1 867 . 1 1 A 76 76 SER H H 76 8.504 8.448 0.056 2
1 868 . 1 1 A 76 76 SER HA H 76 4.489 4.707 -0.218 2
1 871 . 1 1 A 76 76 SER C C 76 174.677 173.806 0.871 2
1 872 . 1 1 A 76 76 SER CA C 76 58.359 57.918 0.441 2
1 873 . 1 1 A 76 76 SER CB C 76 64.013 64.545 -0.532 2
1 874 . 1 1 A 76 76 SER N N 76 116.388 116.751 -0.363 2
1 875 . 1 1 A 77 77 SER H H 77 8.312 8.601 -0.289 2
1 876 . 1 1 A 77 77 SER C C 77 173.914 174.500 -0.586 2
1 877 . 1 1 A 77 77 SER CA C 77 58.342 58.674 -0.332 2
1 878 . 1 1 A 77 77 SER CB C 77 64.013 64.526 -0.513 2
stop_
save_